6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethyl)quinazolin-2-one

C19H14Cl2F3N3O — CID 150054326

IUPAC6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethyl)quinazolin-2-one
SMILESO=c1nc(NCC2CC2)c2cc(Cl)c(C(F)(F)F)cc2n1-c1ccccc1Cl
InChIInChI=1S/C19H14Cl2F3N3O/c20-13-3-1-2-4-15(13)27-16-8-12(19(22,23)24)14(21)7-11(16)17(26-18(27)28)25-9-10-5-6-10/h1-4,7-8,10H,5-6,9H2,(H,25,26,28)
InChIKeyDLYRXQVLTCXOJY-UHFFFAOYSA-N
MW428.24 g/mol
LogP5.53
Rot. Bonds4

About 6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethyl)quinazolin-2-one

6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethyl)quinazolin-2-one (PubChem CID 150054326) has the molecular formula C19H14Cl2F3N3O and a molecular weight of 428.24 g/mol. Its IUPAC name is 6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethyl)quinazolin-2-one.

Molecular Properties

Compound Name6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethyl)quinazolin-2-one
PubChem CID150054326
Molecular FormulaC19H14Cl2F3N3O
Molecular Weight428.24 g/mol
Exact Mass427.05
IUPAC Name6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethyl)quinazolin-2-one
SMILESO=c1nc(NCC2CC2)c2cc(Cl)c(C(F)(F)F)cc2n1-c1ccccc1Cl
InChIInChI=1S/C19H14Cl2F3N3O/c20-13-3-1-2-4-15(13)27-16-8-12(19(22,23)24)14(21)7-11(16)17(26-18(27)28)25-9-10-5-6-10/h1-4,7-8,10H,5-6,9H2,(H,25,26,28)
InChIKeyDLYRXQVLTCXOJY-UHFFFAOYSA-N
XLogP5.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.24
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethoxy)quinazolin-2-one
CID 148724212
7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-fluoroquinazolin-2-one
CID 151034532
1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
CID 148514727
1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(1-fluoroethyl)quinazolin-2-one;hydrofluoride
CID 160669496
7-chloro-1-(2-chlorophenyl)-6-fluoro-4-(methylamino)quinazolin-2-one
CID 159860748
4-amino-1-(2-chlorophenyl)-7-(trifluoromethoxy)quinazolin-2-one
CID 147238184
1-(2-chlorophenyl)-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
CID 156541994
7-bromo-6-chloro-1-(2-chlorophenyl)-4-(1,2-oxazol-4-ylamino)quinazolin-2-one
CID 152714997
4-[[4-[2-chloro-3-[4-[(3-methoxycyclobutyl)amino]-2-oxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-1-yl]phenyl]oxetan-2-yl]methylamino]-1-(2-chlorophenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
CID 154933663
1-(2-chlorophenyl)-6-methyl-4-(methylamino)thieno[3,2-d]pyrimidin-2-one
CID 175958943
6-chloro-1-(2-chlorophenyl)-7-cyclopropyl-4-[(3R)-3-hydroxybutyl]quinazolin-2-one
CID 157209085
2-chloro-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]benzamide
CID 163267336

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethyl)quinazolin-2-one?
The IUPAC name of 6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethyl)quinazolin-2-one (CID 150054326) is 6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethyl)quinazolin-2-one.
What is the SMILES notation for 6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethyl)quinazolin-2-one?
The canonical SMILES for 6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethyl)quinazolin-2-one is O=c1nc(NCC2CC2)c2cc(Cl)c(C(F)(F)F)cc2n1-c1ccccc1Cl.
What is the InChIKey of 6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethyl)quinazolin-2-one?
The InChIKey is DLYRXQVLTCXOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2F3N3O/c20-13-3-1-2-4-15(13)27-16-8-12(19(22,23)24)14(21)7-11(16)17(26-18(27)28)25-9-10-5-6-10/h1-4,7-8,10H,5-6,9H2,(H,25,26,28).
What are the key properties of 6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethyl)quinazolin-2-one?
6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethyl)quinazolin-2-one has a molecular weight of 428.24 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethyl)quinazolin-2-one is sourced from PubChem (CID 150054326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).