2-amino-4-methyl-7-(4-phenyl-3-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one

C20H18N4O — CID 71210258

IUPAC2-amino-4-methyl-7-(4-phenyl-3-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N)nc2c1C(=O)CC(c1cnccc1-c1ccccc1)C2
InChIInChI=1S/C20H18N4O/c1-12-19-17(24-20(21)23-12)9-14(10-18(19)25)16-11-22-8-7-15(16)13-5-3-2-4-6-13/h2-8,11,14H,9-10H2,1H3,(H2,21,23,24)
InChIKeyLKRLVVDEADSZRS-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.34
Rot. Bonds2

About 2-amino-4-methyl-7-(4-phenyl-3-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one

2-amino-4-methyl-7-(4-phenyl-3-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 71210258) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-amino-4-methyl-7-(4-phenyl-3-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-amino-4-methyl-7-(4-phenyl-3-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID71210258
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name2-amino-4-methyl-7-(4-phenyl-3-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N)nc2c1C(=O)CC(c1cnccc1-c1ccccc1)C2
InChIInChI=1S/C20H18N4O/c1-12-19-17(24-20(21)23-12)9-14(10-18(19)25)16-11-22-8-7-15(16)13-5-3-2-4-6-13/h2-8,11,14H,9-10H2,1H3,(H2,21,23,24)
InChIKeyLKRLVVDEADSZRS-UHFFFAOYSA-N
XLogP3.34
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-methyl-7-(4-phenyl-3-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one with MolForge

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Related Compounds

2-amino-7-(4-bromo-3-pyridinyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 71210265
2-amino-7-[2-(3-methoxyphenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 71210204
2-amino-4-methyl-7-[2-[3-(trifluoromethyl)phenyl]phenyl]-7,8-dihydro-6H-quinazolin-5-one
CID 71210232
2-amino-4-methyl-7-[2-(5-methyl-2-pyridinyl)phenyl]-7,8-dihydro-6H-quinazolin-5-one
CID 71210237
2-amino-7-[3-(2-fluorophenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 71210200
N-[2-amino-4-methyl-7-(2-pyridin-3-ylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 76750889
N-[2-amino-4-methyl-7-(2-phenylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 76750894
N-[2-[2-(2-amino-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-7-yl)phenyl]phenyl]acetamide
CID 69451982
2-amino-7-[2-(5,6-dimethoxypyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69450194
2-amino-7-[2-(6-chloropyrazin-2-yl)-4-fluorophenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 87838008
2-amino-7-(2-cyclopentyloxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69450188
2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 58269405

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-7-(4-phenyl-3-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-amino-4-methyl-7-(4-phenyl-3-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one (CID 71210258) is 2-amino-4-methyl-7-(4-phenyl-3-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-amino-4-methyl-7-(4-phenyl-3-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-amino-4-methyl-7-(4-phenyl-3-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N)nc2c1C(=O)CC(c1cnccc1-c1ccccc1)C2.
What is the InChIKey of 2-amino-4-methyl-7-(4-phenyl-3-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is LKRLVVDEADSZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-12-19-17(24-20(21)23-12)9-14(10-18(19)25)16-11-22-8-7-15(16)13-5-3-2-4-6-13/h2-8,11,14H,9-10H2,1H3,(H2,21,23,24).
What are the key properties of 2-amino-4-methyl-7-(4-phenyl-3-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one?
2-amino-4-methyl-7-(4-phenyl-3-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 330.39 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-7-(4-phenyl-3-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 71210258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).