1,3-benzoxazole;3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;methane;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);tris(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);2-propan-2-ylquinoline;7-propan-2-ylquinoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C300H377N25O — CID 158481120

IUPAC1,3-benzoxazole;3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;methane;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);tris(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);2-propan-2-ylquinoline;7-propan-2-ylquinoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESC.CC(C)(C)C.CC(C)(C)c1cnc2ccccc2c1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cc2ccccc2cn1.CC(C)c1cc2ccccc2cn1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1cccc2ccccc12.CC(C)c1cccc2ccccc12.CC(C)c1cccc2ccccc12.c1cc2n(n1)CCCC2.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ocnc2c1.c1ccn2cncc2c1.c1cnc2cccnc2c1.c1cnc2ccncc2c1.c1cnc2ncccc2c1
InChIInChI=1S/C13H15N.5C13H14.4C12H13N.7C9H7N.4C8H6N2.C7H10N2.C7H6N2.C7H5NO.C5H12.13C4H10.CH4/c1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;3*1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;2*1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;2*1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;4*1-2-6-9-8(4-1)5-3-7-10-9;3*1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-6-9-7(3-1)4-5-8-9;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-5(2,3)4;13*1-4(2)3;/h4-9H,1-3H3;5*3-10H,1-2H3;4*3-9H,1-2H3;7*1-7H;4*1-6H;4-5H,1-3,6H2;1-6H;1-5H;1-4H3;13*4H,1-3H3;1H4
InChIKeyHHNMVYHOXUVUFQ-UHFFFAOYSA-N
MW4349.49 g/mol
LogP87.62
Rot. Bonds9

About 1,3-benzoxazole;3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;methane;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);tris(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);2-propan-2-ylquinoline;7-propan-2-ylquinoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

1,3-benzoxazole;3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;methane;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);tris(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);2-propan-2-ylquinoline;7-propan-2-ylquinoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 158481120) has the molecular formula C300H377N25O and a molecular weight of 4349.49 g/mol. Its IUPAC name is 1,3-benzoxazole;3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;methane;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);tris(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);2-propan-2-ylquinoline;7-propan-2-ylquinoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name1,3-benzoxazole;3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;methane;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);tris(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);2-propan-2-ylquinoline;7-propan-2-ylquinoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID158481120
Molecular FormulaC300H377N25O
Molecular Weight4349.49 g/mol
Exact Mass4346.02
IUPAC Name1,3-benzoxazole;3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;methane;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);tris(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);2-propan-2-ylquinoline;7-propan-2-ylquinoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESC.CC(C)(C)C.CC(C)(C)c1cnc2ccccc2c1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cc2ccccc2cn1.CC(C)c1cc2ccccc2cn1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1cccc2ccccc12.CC(C)c1cccc2ccccc12.CC(C)c1cccc2ccccc12.c1cc2n(n1)CCCC2.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ocnc2c1.c1ccn2cncc2c1.c1cnc2cccnc2c1.c1cnc2ccncc2c1.c1cnc2ncccc2c1
InChIInChI=1S/C13H15N.5C13H14.4C12H13N.7C9H7N.4C8H6N2.C7H10N2.C7H6N2.C7H5NO.C5H12.13C4H10.CH4/c1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;3*1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;2*1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;2*1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;4*1-2-6-9-8(4-1)5-3-7-10-9;3*1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-6-9-7(3-1)4-5-8-9;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-5(2,3)4;13*1-4(2)3;/h4-9H,1-3H3;5*3-10H,1-2H3;4*3-9H,1-2H3;7*1-7H;4*1-6H;4-5H,1-3,6H2;1-6H;1-5H;1-4H3;13*4H,1-3H3;1H4
InChIKeyHHNMVYHOXUVUFQ-UHFFFAOYSA-N
XLogP87.62
TPSA318.95 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds9
Heavy Atoms326
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004349.49
LogP ≤ 587.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 1,3-benzoxazole;3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;methane;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);tris(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);2-propan-2-ylquinoline;7-propan-2-ylquinoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazole;3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;methane;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);tris(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);2-propan-2-ylquinoline;7-propan-2-ylquinoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 1,3-benzoxazole;3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;methane;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);tris(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);2-propan-2-ylquinoline;7-propan-2-ylquinoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 158481120) is 1,3-benzoxazole;3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;methane;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);tris(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);2-propan-2-ylquinoline;7-propan-2-ylquinoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 1,3-benzoxazole;3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;methane;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);tris(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);2-propan-2-ylquinoline;7-propan-2-ylquinoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 1,3-benzoxazole;3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;methane;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);tris(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);2-propan-2-ylquinoline;7-propan-2-ylquinoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is C.CC(C)(C)C.CC(C)(C)c1cnc2ccccc2c1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cc2ccccc2cn1.CC(C)c1cc2ccccc2cn1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1cccc2ccccc12.CC(C)c1cccc2ccccc12.CC(C)c1cccc2ccccc12.c1cc2n(n1)CCCC2.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ocnc2c1.c1ccn2cncc2c1.c1cnc2cccnc2c1.c1cnc2ccncc2c1.c1cnc2ncccc2c1.
What is the InChIKey of 1,3-benzoxazole;3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;methane;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);tris(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);2-propan-2-ylquinoline;7-propan-2-ylquinoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is HHNMVYHOXUVUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.5C13H14.4C12H13N.7C9H7N.4C8H6N2.C7H10N2.C7H6N2.C7H5NO.C5H12.13C4H10.CH4/c1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;3*1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;2*1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;2*1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;4*1-2-6-9-8(4-1)5-3-7-10-9;3*1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-6-9-7(3-1)4-5-8-9;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-5(2,3)4;13*1-4(2)3;/h4-9H,1-3H3;5*3-10H,1-2H3;4*3-9H,1-2H3;7*1-7H;4*1-6H;4-5H,1-3,6H2;1-6H;1-5H;1-4H3;13*4H,1-3H3;1H4.
What are the key properties of 1,3-benzoxazole;3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;methane;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);tris(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);2-propan-2-ylquinoline;7-propan-2-ylquinoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
1,3-benzoxazole;3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;methane;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);tris(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);2-propan-2-ylquinoline;7-propan-2-ylquinoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 4349.49 g/mol, XLogP of 87.62, 9 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazole;3-tert-butylquinoline;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;methane;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);tris(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);2-propan-2-ylquinoline;7-propan-2-ylquinoline;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 158481120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).