1,3-benzoxazole;cinnoline;2,2-dimethylpropane;imidazo[1,5-a]pyrazine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C246H315N25O — CID 158161845

IUPAC1,3-benzoxazole;cinnoline;2,2-dimethylpropane;imidazo[1,5-a]pyrazine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCC(C)(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)C.CC(C)c1cc2ccccc2cn1.CC(C)c1cc2ccccc2cn1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc2ccccc12.CC(C)c1cccc2ccccc12.c1cc2n(n1)CCNC2.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2nnccc2c1.c1ccc2ocnc2c1.c1cn2cncc2cn1.c1cnc2cccnc2c1.c1cnc2ccncc2c1.c1cnc2ncccc2c1
InChIInChI=1S/4C13H14.2C12H13N.6C9H7N.5C8H6N2.C7H5NO.C6H5N3.C6H9N3.C5H12.13C4H10/c2*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;2*1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;3*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;1-2-4-8-7(3-1)5-6-9-10-8;1-2-4-7-6(3-1)8-5-9-7;1-2-9-5-8-4-6(9)3-7-1;1-2-8-9-4-3-7-5-6(1)9;1-5(2,3)4;13*1-4(2)3/h4*3-10H,1-2H3;2*3-9H,1-2H3;6*1-7H;5*1-6H;2*1-5H;1-2,7H,3-5H2;1-4H3;13*4H,1-3H3
InChIKeyFWJDVCLGMPWUPW-UHFFFAOYSA-N
MW3638.40 g/mol
LogP70.33
Rot. Bonds6

About 1,3-benzoxazole;cinnoline;2,2-dimethylpropane;imidazo[1,5-a]pyrazine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

1,3-benzoxazole;cinnoline;2,2-dimethylpropane;imidazo[1,5-a]pyrazine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 158161845) has the molecular formula C246H315N25O and a molecular weight of 3638.40 g/mol. Its IUPAC name is 1,3-benzoxazole;cinnoline;2,2-dimethylpropane;imidazo[1,5-a]pyrazine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name1,3-benzoxazole;cinnoline;2,2-dimethylpropane;imidazo[1,5-a]pyrazine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID158161845
Molecular FormulaC246H315N25O
Molecular Weight3638.40 g/mol
Exact Mass3635.54
IUPAC Name1,3-benzoxazole;cinnoline;2,2-dimethylpropane;imidazo[1,5-a]pyrazine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCC(C)(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)C.CC(C)c1cc2ccccc2cn1.CC(C)c1cc2ccccc2cn1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc2ccccc12.CC(C)c1cccc2ccccc12.c1cc2n(n1)CCNC2.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2nnccc2c1.c1ccc2ocnc2c1.c1cn2cncc2cn1.c1cnc2cccnc2c1.c1cnc2ccncc2c1.c1cnc2ncccc2c1
InChIInChI=1S/4C13H14.2C12H13N.6C9H7N.5C8H6N2.C7H5NO.C6H5N3.C6H9N3.C5H12.13C4H10/c2*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;2*1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;3*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;1-2-4-8-7(3-1)5-6-9-10-8;1-2-4-7-6(3-1)8-5-9-7;1-2-9-5-8-4-6(9)3-7-1;1-2-8-9-4-3-7-5-6(1)9;1-5(2,3)4;13*1-4(2)3/h4*3-10H,1-2H3;2*3-9H,1-2H3;6*1-7H;5*1-6H;2*1-5H;1-2,7H,3-5H2;1-4H3;13*4H,1-3H3
InChIKeyFWJDVCLGMPWUPW-UHFFFAOYSA-N
XLogP70.33
TPSA318.09 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds6
Heavy Atoms272
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003638.40
LogP ≤ 570.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazole;cinnoline;2,2-dimethylpropane;imidazo[1,5-a]pyrazine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 1,3-benzoxazole;cinnoline;2,2-dimethylpropane;imidazo[1,5-a]pyrazine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 158161845) is 1,3-benzoxazole;cinnoline;2,2-dimethylpropane;imidazo[1,5-a]pyrazine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 1,3-benzoxazole;cinnoline;2,2-dimethylpropane;imidazo[1,5-a]pyrazine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 1,3-benzoxazole;cinnoline;2,2-dimethylpropane;imidazo[1,5-a]pyrazine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is CC(C)(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)C.CC(C)c1cc2ccccc2cn1.CC(C)c1cc2ccccc2cn1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc2ccccc12.CC(C)c1cccc2ccccc12.c1cc2n(n1)CCNC2.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2nnccc2c1.c1ccc2ocnc2c1.c1cn2cncc2cn1.c1cnc2cccnc2c1.c1cnc2ccncc2c1.c1cnc2ncccc2c1.
What is the InChIKey of 1,3-benzoxazole;cinnoline;2,2-dimethylpropane;imidazo[1,5-a]pyrazine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is FWJDVCLGMPWUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H14.2C12H13N.6C9H7N.5C8H6N2.C7H5NO.C6H5N3.C6H9N3.C5H12.13C4H10/c2*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;2*1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;3*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;1-2-4-8-7(3-1)5-6-9-10-8;1-2-4-7-6(3-1)8-5-9-7;1-2-9-5-8-4-6(9)3-7-1;1-2-8-9-4-3-7-5-6(1)9;1-5(2,3)4;13*1-4(2)3/h4*3-10H,1-2H3;2*3-9H,1-2H3;6*1-7H;5*1-6H;2*1-5H;1-2,7H,3-5H2;1-4H3;13*4H,1-3H3.
What are the key properties of 1,3-benzoxazole;cinnoline;2,2-dimethylpropane;imidazo[1,5-a]pyrazine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
1,3-benzoxazole;cinnoline;2,2-dimethylpropane;imidazo[1,5-a]pyrazine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 3638.40 g/mol, XLogP of 70.33, 6 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazole;cinnoline;2,2-dimethylpropane;imidazo[1,5-a]pyrazine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 158161845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).