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

C22H21N3O2 — CID 69456140

IUPAC2-amino-4-[(3-methoxyphenyl)methyl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1cccc(Cc2nc(N)nc3c2C(=O)CC(c2ccccc2)C3)c1
InChIInChI=1S/C22H21N3O2/c1-27-17-9-5-6-14(10-17)11-18-21-19(25-22(23)24-18)12-16(13-20(21)26)15-7-3-2-4-8-15/h2-10,16H,11-13H2,1H3,(H2,23,24,25)
InChIKeyDYZKUNBQLRKMBB-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.57
Rot. Bonds4

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

2-amino-4-[(3-methoxyphenyl)methyl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 69456140) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-amino-4-[(3-methoxyphenyl)methyl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-amino-4-[(3-methoxyphenyl)methyl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID69456140
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name2-amino-4-[(3-methoxyphenyl)methyl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1cccc(Cc2nc(N)nc3c2C(=O)CC(c2ccccc2)C3)c1
InChIInChI=1S/C22H21N3O2/c1-27-17-9-5-6-14(10-17)11-18-21-19(25-22(23)24-18)12-16(13-20(21)26)15-7-3-2-4-8-15/h2-10,16H,11-13H2,1H3,(H2,23,24,25)
InChIKeyDYZKUNBQLRKMBB-UHFFFAOYSA-N
XLogP3.57
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(methoxymethyl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 69451972
2-amino-7-[2-(3-methoxyphenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 71210204
9-amino-7-chloro-3-(4-methoxyphenyl)-3,4-dihydro-2H-acridin-1-one
CID 167530820
2-amino-7-(3-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 58269405
ethyl (6S)-6-(4-methoxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
CID 41123503
(7R)-2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 738767
2-amino-7-(4-chlorophenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 11948703
2-amino-7-[3-(2-fluorophenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 71210200
(7R)-7-(4-methoxyphenyl)-4-methyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
CID 29101593
2-(4-methoxyanilino)-7-(4-methoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 16583996
2-(5-chloro-2-methoxyphenyl)-3-ethyl-6-phenyl-6,7-dihydro-5H-indazol-4-one
CID 5214182
(4R)-1-[[2-[(3-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-4-phenylpyrrolidin-2-one
CID 97125209

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(3-methoxyphenyl)methyl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-amino-4-[(3-methoxyphenyl)methyl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one (CID 69456140) is 2-amino-4-[(3-methoxyphenyl)methyl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-amino-4-[(3-methoxyphenyl)methyl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-amino-4-[(3-methoxyphenyl)methyl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one is COc1cccc(Cc2nc(N)nc3c2C(=O)CC(c2ccccc2)C3)c1.
What is the InChIKey of 2-amino-4-[(3-methoxyphenyl)methyl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is DYZKUNBQLRKMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-27-17-9-5-6-14(10-17)11-18-21-19(25-22(23)24-18)12-16(13-20(21)26)15-7-3-2-4-8-15/h2-10,16H,11-13H2,1H3,(H2,23,24,25).
What are the key properties of 2-amino-4-[(3-methoxyphenyl)methyl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one?
2-amino-4-[(3-methoxyphenyl)methyl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 359.43 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(3-methoxyphenyl)methyl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 69456140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).