methane;7-methyl-2-propan-2-ylquinazoline;1-(6-propan-2-yl-1,5-naphthyridin-3-yl)ethanone;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylpyrido[3,2-d]pyrimidine

C56H65N13O — CID 159096736

IUPACmethane;7-methyl-2-propan-2-ylquinazoline;1-(6-propan-2-yl-1,5-naphthyridin-3-yl)ethanone;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylpyrido[3,2-d]pyrimidine
SMILESC.CC(=O)c1cnc2ccc(C(C)C)nc2c1.CC(C)c1ccc2nccnc2n1.CC(C)c1cnc2ncccc2n1.CC(C)c1ncc2ncccc2n1.Cc1ccc2cnc(C(C)C)nc2c1
InChIInChI=1S/C13H14N2O.C12H14N2.3C10H11N3.CH4/c1-8(2)11-4-5-12-13(15-11)6-10(7-14-12)9(3)16;1-8(2)12-13-7-10-5-4-9(3)6-11(10)14-12;1-7(2)8-3-4-9-10(13-8)12-6-5-11-9;1-7(2)10-12-6-9-8(13-10)4-3-5-11-9;1-7(2)9-6-12-10-8(13-9)4-3-5-11-10;/h4-8H,1-3H3;4-8H,1-3H3;3*3-7H,1-2H3;1H4
InChIKeyKCTNQJVZAYSIIS-UHFFFAOYSA-N
MW936.23 g/mol
LogP13.10
Rot. Bonds6

About methane;7-methyl-2-propan-2-ylquinazoline;1-(6-propan-2-yl-1,5-naphthyridin-3-yl)ethanone;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylpyrido[3,2-d]pyrimidine

methane;7-methyl-2-propan-2-ylquinazoline;1-(6-propan-2-yl-1,5-naphthyridin-3-yl)ethanone;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylpyrido[3,2-d]pyrimidine (PubChem CID 159096736) has the molecular formula C56H65N13O and a molecular weight of 936.23 g/mol. Its IUPAC name is methane;7-methyl-2-propan-2-ylquinazoline;1-(6-propan-2-yl-1,5-naphthyridin-3-yl)ethanone;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylpyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Namemethane;7-methyl-2-propan-2-ylquinazoline;1-(6-propan-2-yl-1,5-naphthyridin-3-yl)ethanone;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylpyrido[3,2-d]pyrimidine
PubChem CID159096736
Molecular FormulaC56H65N13O
Molecular Weight936.23 g/mol
Exact Mass935.54
IUPAC Namemethane;7-methyl-2-propan-2-ylquinazoline;1-(6-propan-2-yl-1,5-naphthyridin-3-yl)ethanone;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylpyrido[3,2-d]pyrimidine
SMILESC.CC(=O)c1cnc2ccc(C(C)C)nc2c1.CC(C)c1ccc2nccnc2n1.CC(C)c1cnc2ncccc2n1.CC(C)c1ncc2ncccc2n1.Cc1ccc2cnc(C(C)C)nc2c1
InChIInChI=1S/C13H14N2O.C12H14N2.3C10H11N3.CH4/c1-8(2)11-4-5-12-13(15-11)6-10(7-14-12)9(3)16;1-8(2)12-13-7-10-5-4-9(3)6-11(10)14-12;1-7(2)8-3-4-9-10(13-8)12-6-5-11-9;1-7(2)10-12-6-9-8(13-10)4-3-5-11-9;1-7(2)9-6-12-10-8(13-9)4-3-5-11-10;/h4-8H,1-3H3;4-8H,1-3H3;3*3-7H,1-2H3;1H4
InChIKeyKCTNQJVZAYSIIS-UHFFFAOYSA-N
XLogP13.10
TPSA184.64 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500936.23
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze methane;7-methyl-2-propan-2-ylquinazoline;1-(6-propan-2-yl-1,5-naphthyridin-3-yl)ethanone;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylpyrido[3,2-d]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

TbPTR1 inhibitor 1
CID 164517153
(2-Phenyl-4-pyridin-4-ylquinazolin-7-yl)-piperidin-1-ylmethanone
CID 146476162
(2-Phenyl-4-pyridin-3-ylquinazolin-7-yl)-piperidin-1-ylmethanone
CID 146476163
4-[[2-(Dimethylamino)-1-[3-[(2-piperidin-1-ylpyridine-4-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 46869517
US8653087, III-229
CID 68035949
US8653087, III-247
CID 68035975
US8653087, III-261
CID 68036003
US8653087, III-341
CID 68036104
US8653087, III-416
CID 68036203
US8653087, III-417
CID 68036207
US8653087, III-510
CID 68036327
US8653087, III-595
CID 68036425

Frequently Asked Questions

What is the IUPAC name of methane;7-methyl-2-propan-2-ylquinazoline;1-(6-propan-2-yl-1,5-naphthyridin-3-yl)ethanone;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylpyrido[3,2-d]pyrimidine?
The IUPAC name of methane;7-methyl-2-propan-2-ylquinazoline;1-(6-propan-2-yl-1,5-naphthyridin-3-yl)ethanone;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylpyrido[3,2-d]pyrimidine (CID 159096736) is methane;7-methyl-2-propan-2-ylquinazoline;1-(6-propan-2-yl-1,5-naphthyridin-3-yl)ethanone;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylpyrido[3,2-d]pyrimidine.
What is the SMILES notation for methane;7-methyl-2-propan-2-ylquinazoline;1-(6-propan-2-yl-1,5-naphthyridin-3-yl)ethanone;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylpyrido[3,2-d]pyrimidine?
The canonical SMILES for methane;7-methyl-2-propan-2-ylquinazoline;1-(6-propan-2-yl-1,5-naphthyridin-3-yl)ethanone;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylpyrido[3,2-d]pyrimidine is C.CC(=O)c1cnc2ccc(C(C)C)nc2c1.CC(C)c1ccc2nccnc2n1.CC(C)c1cnc2ncccc2n1.CC(C)c1ncc2ncccc2n1.Cc1ccc2cnc(C(C)C)nc2c1.
What is the InChIKey of methane;7-methyl-2-propan-2-ylquinazoline;1-(6-propan-2-yl-1,5-naphthyridin-3-yl)ethanone;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylpyrido[3,2-d]pyrimidine?
The InChIKey is KCTNQJVZAYSIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O.C12H14N2.3C10H11N3.CH4/c1-8(2)11-4-5-12-13(15-11)6-10(7-14-12)9(3)16;1-8(2)12-13-7-10-5-4-9(3)6-11(10)14-12;1-7(2)8-3-4-9-10(13-8)12-6-5-11-9;1-7(2)10-12-6-9-8(13-10)4-3-5-11-9;1-7(2)9-6-12-10-8(13-9)4-3-5-11-10;/h4-8H,1-3H3;4-8H,1-3H3;3*3-7H,1-2H3;1H4.
What are the key properties of methane;7-methyl-2-propan-2-ylquinazoline;1-(6-propan-2-yl-1,5-naphthyridin-3-yl)ethanone;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylpyrido[3,2-d]pyrimidine?
methane;7-methyl-2-propan-2-ylquinazoline;1-(6-propan-2-yl-1,5-naphthyridin-3-yl)ethanone;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylpyrido[3,2-d]pyrimidine has a molecular weight of 936.23 g/mol, XLogP of 13.10, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for methane;7-methyl-2-propan-2-ylquinazoline;1-(6-propan-2-yl-1,5-naphthyridin-3-yl)ethanone;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylpyrido[3,2-d]pyrimidine is sourced from PubChem (CID 159096736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).