2-[(8-methoxy-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one

C23H27N5O2 — CID 73344824

IUPAC2-[(8-methoxy-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one
SMILESCOc1cccc2c(C)nc(NC3NC(=O)C(Cc4cccc(C)c4)C(C)N3)nc12
InChIInChI=1S/C23H27N5O2/c1-13-7-5-8-16(11-13)12-18-15(3)25-23(27-21(18)29)28-22-24-14(2)17-9-6-10-19(30-4)20(17)26-22/h5-11,15,18,23,25H,12H2,1-4H3,(H,27,29)(H,24,26,28)
InChIKeyGKDSVRZVTYQCBS-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.92
Rot. Bonds5

About 2-[(8-methoxy-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one

2-[(8-methoxy-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one (PubChem CID 73344824) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[(8-methoxy-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-[(8-methoxy-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one
PubChem CID73344824
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name2-[(8-methoxy-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one
SMILESCOc1cccc2c(C)nc(NC3NC(=O)C(Cc4cccc(C)c4)C(C)N3)nc12
InChIInChI=1S/C23H27N5O2/c1-13-7-5-8-16(11-13)12-18-15(3)25-23(27-21(18)29)28-22-24-14(2)17-9-6-10-19(30-4)20(17)26-22/h5-11,15,18,23,25H,12H2,1-4H3,(H,27,29)(H,24,26,28)
InChIKeyGKDSVRZVTYQCBS-UHFFFAOYSA-N
XLogP2.92
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(8-methoxy-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one?
The IUPAC name of 2-[(8-methoxy-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one (CID 73344824) is 2-[(8-methoxy-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one.
What is the SMILES notation for 2-[(8-methoxy-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one?
The canonical SMILES for 2-[(8-methoxy-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one is COc1cccc2c(C)nc(NC3NC(=O)C(Cc4cccc(C)c4)C(C)N3)nc12.
What is the InChIKey of 2-[(8-methoxy-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one?
The InChIKey is GKDSVRZVTYQCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-13-7-5-8-16(11-13)12-18-15(3)25-23(27-21(18)29)28-22-24-14(2)17-9-6-10-19(30-4)20(17)26-22/h5-11,15,18,23,25H,12H2,1-4H3,(H,27,29)(H,24,26,28).
What are the key properties of 2-[(8-methoxy-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one?
2-[(8-methoxy-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one has a molecular weight of 405.50 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-methoxy-4-methylquinazolin-2-yl)amino]-6-methyl-5-[(3-methylphenyl)methyl]-1,3-diazinan-4-one is sourced from PubChem (CID 73344824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).