(7R)-7-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]-7,8-dihydro-6H-quinazolin-5-one

C23H22FN3O2 — CID 7342552

IUPAC(7R)-7-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc(CCNc2ncc3c(n2)C[C@@H](c2ccc(F)cc2)CC3=O)cc1
InChIInChI=1S/C23H22FN3O2/c1-29-19-8-2-15(3-9-19)10-11-25-23-26-14-20-21(27-23)12-17(13-22(20)28)16-4-6-18(24)7-5-16/h2-9,14,17H,10-13H2,1H3,(H,25,26,27)/t17-/m1/s1
InChIKeyLDLODSICZPMUJE-QGZVFWFLSA-N
MW391.45 g/mol
LogP4.19
Rot. Bonds6

About (7R)-7-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]-7,8-dihydro-6H-quinazolin-5-one

(7R)-7-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 7342552) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is (7R)-7-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7R)-7-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]-7,8-dihydro-6H-quinazolin-5-one
PubChem CID7342552
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name(7R)-7-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccc(CCNc2ncc3c(n2)C[C@@H](c2ccc(F)cc2)CC3=O)cc1
InChIInChI=1S/C23H22FN3O2/c1-29-19-8-2-15(3-9-19)10-11-25-23-26-14-20-21(27-23)12-17(13-22(20)28)16-4-6-18(24)7-5-16/h2-9,14,17H,10-13H2,1H3,(H,25,26,27)/t17-/m1/s1
InChIKeyLDLODSICZPMUJE-QGZVFWFLSA-N
XLogP4.19
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7R)-7-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]-7,8-dihydro-6H-quinazolin-5-one with MolForge

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Related Compounds

N-[7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 3139680
(7S)-7-(4-fluorophenyl)-2-(2-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 41286955
(7R)-2-(4-methoxyanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 1415093
2-ethyl-N-[(7R)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]butanamide
CID 7354512
N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-2-methoxybenzamide
CID 5164971
(7S)-2-(4-fluoroanilino)-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 1389056
(7R)-2-(benzylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 713042
(7S)-2-[(4-fluorophenyl)methylamino]-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 7332901
N-[(7S)-7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]naphthalene-1-carboxamide
CID 40665128
2-(4-chloroanilino)-7-(4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 3581185
(7S)-2-(butylamino)-7-[4-(dimethylamino)phenyl]-7,8-dihydro-6H-quinazolin-5-one
CID 7342549
(7R)-7-(2-chlorophenyl)-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 7342667

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7R)-7-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]-7,8-dihydro-6H-quinazolin-5-one (CID 7342552) is (7R)-7-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7R)-7-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7R)-7-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]-7,8-dihydro-6H-quinazolin-5-one is COc1ccc(CCNc2ncc3c(n2)C[C@@H](c2ccc(F)cc2)CC3=O)cc1.
What is the InChIKey of (7R)-7-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is LDLODSICZPMUJE-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-29-19-8-2-15(3-9-19)10-11-25-23-26-14-20-21(27-23)12-17(13-22(20)28)16-4-6-18(24)7-5-16/h2-9,14,17H,10-13H2,1H3,(H,25,26,27)/t17-/m1/s1.
What are the key properties of (7R)-7-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]-7,8-dihydro-6H-quinazolin-5-one?
(7R)-7-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 391.45 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 7342552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).