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

C20H23N3O2 — CID 69450188

IUPAC2-amino-7-(2-cyclopentyloxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N)nc2c1C(=O)CC(c1ccccc1OC1CCCC1)C2
InChIInChI=1S/C20H23N3O2/c1-12-19-16(23-20(21)22-12)10-13(11-17(19)24)15-8-4-5-9-18(15)25-14-6-2-3-7-14/h4-5,8-9,13-14H,2-3,6-7,10-11H2,1H3,(H2,21,22,23)
InChIKeyLDGZXFOPZIBBGY-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.60
Rot. Bonds3

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

2-amino-7-(2-cyclopentyloxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 69450188) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-amino-7-(2-cyclopentyloxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-amino-7-(2-cyclopentyloxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID69450188
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-amino-7-(2-cyclopentyloxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N)nc2c1C(=O)CC(c1ccccc1OC1CCCC1)C2
InChIInChI=1S/C20H23N3O2/c1-12-19-16(23-20(21)22-12)10-13(11-17(19)24)15-8-4-5-9-18(15)25-14-6-2-3-7-14/h4-5,8-9,13-14H,2-3,6-7,10-11H2,1H3,(H2,21,22,23)
InChIKeyLDGZXFOPZIBBGY-UHFFFAOYSA-N
XLogP3.60
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetyl-5-(2-bromophenyl)cyclohexane-1,3-dione;2-amino-7-(2-bromophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 161438359
2-amino-4-methyl-7-[2-(5-methyl-2-pyridinyl)phenyl]-7,8-dihydro-6H-quinazolin-5-one
CID 71210237
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-bromophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one;methyl 2-(2-amino-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-7-yl)benzoate
CID 160547949
2-amino-7-[2-(3-methoxyphenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 71210204
2-amino-4-methyl-7-(4-phenyl-3-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one
CID 71210258
2-amino-7-[2-(6-ethoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69454639
2-amino-4-methyl-7-[2-[3-(trifluoromethyl)phenyl]phenyl]-7,8-dihydro-6H-quinazolin-5-one
CID 71210232
2-amino-7-(4-chlorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 11948703
2-amino-7-(4-bromo-3-pyridinyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 71210265
2-amino-7-[4-chloro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 69449507
(7R)-7-(2-methoxyphenyl)-4-methyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 28629818

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(2-cyclopentyloxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-amino-7-(2-cyclopentyloxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 69450188) is 2-amino-7-(2-cyclopentyloxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-amino-7-(2-cyclopentyloxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-amino-7-(2-cyclopentyloxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N)nc2c1C(=O)CC(c1ccccc1OC1CCCC1)C2.
What is the InChIKey of 2-amino-7-(2-cyclopentyloxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is LDGZXFOPZIBBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-12-19-16(23-20(21)22-12)10-13(11-17(19)24)15-8-4-5-9-18(15)25-14-6-2-3-7-14/h4-5,8-9,13-14H,2-3,6-7,10-11H2,1H3,(H2,21,22,23).
What are the key properties of 2-amino-7-(2-cyclopentyloxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
2-amino-7-(2-cyclopentyloxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 337.42 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(2-cyclopentyloxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 69450188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).