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

C15H16N4O — CID 57388979

IUPAC7-methyl-2-[(6-methyl-3-pyridinyl)amino]-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc(Nc2ncc3c(n2)CC(C)CC3=O)cn1
InChIInChI=1S/C15H16N4O/c1-9-5-13-12(14(20)6-9)8-17-15(19-13)18-11-4-3-10(2)16-7-11/h3-4,7-9H,5-6H2,1-2H3,(H,17,18,19)
InChIKeyLNVIBVCDBGTKOO-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.69
Rot. Bonds2

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

7-methyl-2-[(6-methyl-3-pyridinyl)amino]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 57388979) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 7-methyl-2-[(6-methyl-3-pyridinyl)amino]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-methyl-2-[(6-methyl-3-pyridinyl)amino]-7,8-dihydro-6H-quinazolin-5-one
PubChem CID57388979
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name7-methyl-2-[(6-methyl-3-pyridinyl)amino]-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc(Nc2ncc3c(n2)CC(C)CC3=O)cn1
InChIInChI=1S/C15H16N4O/c1-9-5-13-12(14(20)6-9)8-17-15(19-13)18-11-4-3-10(2)16-7-11/h3-4,7-9H,5-6H2,1-2H3,(H,17,18,19)
InChIKeyLNVIBVCDBGTKOO-UHFFFAOYSA-N
XLogP2.69
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Mocetinostat
CID 9865515
2-(4-Ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 1416467
2-[(2,4-dimethylphenyl)amino]-7-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 4917731
6-cyclopropyl-N-[2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 54760375
2-[(4,6-dimethylquinazolin-2-yl)amino]-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 631488
2-(2,3-dihydro-1H-indol-1-yl)-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 943239
7-methyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one
CID 665345
7-methyl-2-[(3-methylphenyl)amino]-7,8-dihydroquinazolin-5(6H)-one
CID 665688
2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 2986465
N-(3-acetyl-4-fluorophenyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415262
9-Methyl-2-[3-(4-methylpiperazin-1-yl)anilino]-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide
CID 52949335
4-amino-2-methyl-N-(6-methylpyridin-3-yl)quinazoline-8-carboxamide
CID 53323641

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(6-methyl-3-pyridinyl)amino]-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-methyl-2-[(6-methyl-3-pyridinyl)amino]-7,8-dihydro-6H-quinazolin-5-one (CID 57388979) is 7-methyl-2-[(6-methyl-3-pyridinyl)amino]-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-methyl-2-[(6-methyl-3-pyridinyl)amino]-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-methyl-2-[(6-methyl-3-pyridinyl)amino]-7,8-dihydro-6H-quinazolin-5-one is Cc1ccc(Nc2ncc3c(n2)CC(C)CC3=O)cn1.
What is the InChIKey of 7-methyl-2-[(6-methyl-3-pyridinyl)amino]-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is LNVIBVCDBGTKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9-5-13-12(14(20)6-9)8-17-15(19-13)18-11-4-3-10(2)16-7-11/h3-4,7-9H,5-6H2,1-2H3,(H,17,18,19).
What are the key properties of 7-methyl-2-[(6-methyl-3-pyridinyl)amino]-7,8-dihydro-6H-quinazolin-5-one?
7-methyl-2-[(6-methyl-3-pyridinyl)amino]-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 268.32 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(6-methyl-3-pyridinyl)amino]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 57388979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).