2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-(oxan-4-yl)quinazolin-4-amine

C23H27N3O — CID 147699472

IUPAC2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-(oxan-4-yl)quinazolin-4-amine
SMILESCc1cccc([C@@H](C)Nc2nc(C)nc3ccc(C4CCOCC4)cc23)c1
InChIInChI=1S/C23H27N3O/c1-15-5-4-6-19(13-15)16(2)24-23-21-14-20(18-9-11-27-12-10-18)7-8-22(21)25-17(3)26-23/h4-8,13-14,16,18H,9-12H2,1-3H3,(H,24,25,26)/t16-/m1/s1
InChIKeyGSOKCYCXTZZVFI-MRXNPFEDSA-N
MW361.49 g/mol
LogP5.31
Rot. Bonds4

About 2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-(oxan-4-yl)quinazolin-4-amine

2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-(oxan-4-yl)quinazolin-4-amine (PubChem CID 147699472) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-(oxan-4-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-(oxan-4-yl)quinazolin-4-amine
PubChem CID147699472
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-(oxan-4-yl)quinazolin-4-amine
SMILESCc1cccc([C@@H](C)Nc2nc(C)nc3ccc(C4CCOCC4)cc23)c1
InChIInChI=1S/C23H27N3O/c1-15-5-4-6-19(13-15)16(2)24-23-21-14-20(18-9-11-27-12-10-18)7-8-22(21)25-17(3)26-23/h4-8,13-14,16,18H,9-12H2,1-3H3,(H,24,25,26)/t16-/m1/s1
InChIKeyGSOKCYCXTZZVFI-MRXNPFEDSA-N
XLogP5.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-(oxan-4-yl)quinazolin-4-amine with MolForge

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Related Compounds

N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989
1-{(E)-amino[(4,6-dimethylquinazolin-2-yl)amino]methylidene}-3-cyclohexylurea
CID 135543905
4-(4-Morpholinyl)-2-phenylquinazoline
CID 675225
CID 2971918
CID 2971918
6-Phenylaminomethyl-quinazoline-2,4-diamine
CID 487412
4-N-benzyl-2-N-phenylquinazoline-2,4-diamine
CID 805487
(3,5-Dimethyl-adamantan-1-yl)-(2-morpholin-4-yl-quinazolin-4-yl)-amine
CID 3304180
4-((Diphenylmethyl)amino)-2-phenylquinazoline
CID 9930153
N-(4-{[(2-Methoxyethyl)amino]methyl}phenyl)-6-(Pyridin-4-Yl)quinazolin-2-Amine
CID 70702306
2-Ethoxy-6-methyl-4-phenylquinazoline
CID 742337
N-(1-phenylethyl)-2-(piperidin-1-yl)quinazolin-4-amine
CID 2956995

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-(oxan-4-yl)quinazolin-4-amine?
The IUPAC name of 2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-(oxan-4-yl)quinazolin-4-amine (CID 147699472) is 2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-(oxan-4-yl)quinazolin-4-amine.
What is the SMILES notation for 2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-(oxan-4-yl)quinazolin-4-amine?
The canonical SMILES for 2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-(oxan-4-yl)quinazolin-4-amine is Cc1cccc([C@@H](C)Nc2nc(C)nc3ccc(C4CCOCC4)cc23)c1.
What is the InChIKey of 2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-(oxan-4-yl)quinazolin-4-amine?
The InChIKey is GSOKCYCXTZZVFI-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H27N3O/c1-15-5-4-6-19(13-15)16(2)24-23-21-14-20(18-9-11-27-12-10-18)7-8-22(21)25-17(3)26-23/h4-8,13-14,16,18H,9-12H2,1-3H3,(H,24,25,26)/t16-/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-(oxan-4-yl)quinazolin-4-amine?
2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-(oxan-4-yl)quinazolin-4-amine has a molecular weight of 361.49 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-(oxan-4-yl)quinazolin-4-amine is sourced from PubChem (CID 147699472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).