7-chloro-2-[2-[4-(4-fluorophenyl)phenyl]ethylamino]-3-methylquinazolin-4-one

C23H19ClFN3O — CID 134132068

IUPAC7-chloro-2-[2-[4-(4-fluorophenyl)phenyl]ethylamino]-3-methylquinazolin-4-one
SMILESCn1c(NCCc2ccc(-c3ccc(F)cc3)cc2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C23H19ClFN3O/c1-28-22(29)20-11-8-18(24)14-21(20)27-23(28)26-13-12-15-2-4-16(5-3-15)17-6-9-19(25)10-7-17/h2-11,14H,12-13H2,1H3,(H,26,27)
InChIKeyZLDQEPMFWJQWSR-UHFFFAOYSA-N
MW407.88 g/mol
LogP5.05
Rot. Bonds5

About 7-chloro-2-[2-[4-(4-fluorophenyl)phenyl]ethylamino]-3-methylquinazolin-4-one

7-chloro-2-[2-[4-(4-fluorophenyl)phenyl]ethylamino]-3-methylquinazolin-4-one (PubChem CID 134132068) has the molecular formula C23H19ClFN3O and a molecular weight of 407.88 g/mol. Its IUPAC name is 7-chloro-2-[2-[4-(4-fluorophenyl)phenyl]ethylamino]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[2-[4-(4-fluorophenyl)phenyl]ethylamino]-3-methylquinazolin-4-one
PubChem CID134132068
Molecular FormulaC23H19ClFN3O
Molecular Weight407.88 g/mol
Exact Mass407.12
IUPAC Name7-chloro-2-[2-[4-(4-fluorophenyl)phenyl]ethylamino]-3-methylquinazolin-4-one
SMILESCn1c(NCCc2ccc(-c3ccc(F)cc3)cc2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C23H19ClFN3O/c1-28-22(29)20-11-8-18(24)14-21(20)27-23(28)26-13-12-15-2-4-16(5-3-15)17-6-9-19(25)10-7-17/h2-11,14H,12-13H2,1H3,(H,26,27)
InChIKeyZLDQEPMFWJQWSR-UHFFFAOYSA-N
XLogP5.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.88
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ispinesib
CID 6851740
N-(3-Aminopropyl)-N-{(1R)-1-[7-chloro-4-oxo-3-(phenylmethyl)-3,4-dihydro-2-quinazolinyl]-2-methylpropyl}-3-fluoro-4-methylbenzamide
CID 16034829
N-(3-Aminopropyl)-N-[(1S)-1-[7-chloro-3,4-dihydro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]-2-methylpropyl]-4-methylbenzamide
CID 71508542
2-({2-[(3R)-3-aminopiperidin-1-yl]-7-chloro-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)benzonitrile
CID 16658024
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-fluorobenzamide
CID 71508543
N-(3-aminopropyl)-N-[1-[7-chloro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]-2-methylpropyl]-4-methylbenzamide
CID 6450817
3-(2-Chlorophenyl)-6-fluoro-2-[(2-fluorophenyl)methylamino]quinazolin-4-one
CID 10501013
N-(5-chloro-2-methylphenyl)-3-(4-oxo-3(4H)-quinazolinyl)propanamide
CID 6461515
N-(3-aminopropyl)-N-((3-benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)methyl)-4-methylbenzamide
CID 44445387
4-[(E)-(3-chloro-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-6-ylidene)methyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 70687344
N-(3-aminopropyl)-N-[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-3-fluorobenzamide
CID 71508540
N-(3-aminopropyl)-N-[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-2-fluorobenzamide
CID 71508541

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[2-[4-(4-fluorophenyl)phenyl]ethylamino]-3-methylquinazolin-4-one?
The IUPAC name of 7-chloro-2-[2-[4-(4-fluorophenyl)phenyl]ethylamino]-3-methylquinazolin-4-one (CID 134132068) is 7-chloro-2-[2-[4-(4-fluorophenyl)phenyl]ethylamino]-3-methylquinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[2-[4-(4-fluorophenyl)phenyl]ethylamino]-3-methylquinazolin-4-one?
The canonical SMILES for 7-chloro-2-[2-[4-(4-fluorophenyl)phenyl]ethylamino]-3-methylquinazolin-4-one is Cn1c(NCCc2ccc(-c3ccc(F)cc3)cc2)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 7-chloro-2-[2-[4-(4-fluorophenyl)phenyl]ethylamino]-3-methylquinazolin-4-one?
The InChIKey is ZLDQEPMFWJQWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O/c1-28-22(29)20-11-8-18(24)14-21(20)27-23(28)26-13-12-15-2-4-16(5-3-15)17-6-9-19(25)10-7-17/h2-11,14H,12-13H2,1H3,(H,26,27).
What are the key properties of 7-chloro-2-[2-[4-(4-fluorophenyl)phenyl]ethylamino]-3-methylquinazolin-4-one?
7-chloro-2-[2-[4-(4-fluorophenyl)phenyl]ethylamino]-3-methylquinazolin-4-one has a molecular weight of 407.88 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[2-[4-(4-fluorophenyl)phenyl]ethylamino]-3-methylquinazolin-4-one is sourced from PubChem (CID 134132068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).