7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-fluoroquinazolin-2-one

C18H14BrClFN3O — CID 151034532

IUPAC7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-fluoroquinazolin-2-one
SMILESO=c1nc(NCC2CC2)c2cc(F)c(Br)cc2n1-c1ccccc1Cl
InChIInChI=1S/C18H14BrClFN3O/c19-12-8-16-11(7-14(12)21)17(22-9-10-5-6-10)23-18(25)24(16)15-4-2-1-3-13(15)20/h1-4,7-8,10H,5-6,9H2,(H,22,23,25)
InChIKeyMAUCZJKBEJHNGF-UHFFFAOYSA-N
MW422.69 g/mol
LogP4.76
Rot. Bonds4

About 7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-fluoroquinazolin-2-one

7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-fluoroquinazolin-2-one (PubChem CID 151034532) has the molecular formula C18H14BrClFN3O and a molecular weight of 422.69 g/mol. Its IUPAC name is 7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-fluoroquinazolin-2-one.

Molecular Properties

Compound Name7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-fluoroquinazolin-2-one
PubChem CID151034532
Molecular FormulaC18H14BrClFN3O
Molecular Weight422.69 g/mol
Exact Mass421.00
IUPAC Name7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-fluoroquinazolin-2-one
SMILESO=c1nc(NCC2CC2)c2cc(F)c(Br)cc2n1-c1ccccc1Cl
InChIInChI=1S/C18H14BrClFN3O/c19-12-8-16-11(7-14(12)21)17(22-9-10-5-6-10)23-18(25)24(16)15-4-2-1-3-13(15)20/h1-4,7-8,10H,5-6,9H2,(H,22,23,25)
InChIKeyMAUCZJKBEJHNGF-UHFFFAOYSA-N
XLogP4.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.69
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethyl)quinazolin-2-one
CID 150054326
1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethoxy)quinazolin-2-one
CID 148724212
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
1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
CID 148514727
7-bromo-6-chloro-1-(2-chlorophenyl)-4-(1,2-oxazol-4-ylamino)quinazolin-2-one
CID 152714997
4-[(2R)-2-aminobut-3-ynyl]-1-(2-chlorophenyl)-7-cyclopropylquinazolin-2-one
CID 175429137
1-(2-chlorophenyl)-7-cyclopropyl-4-pentylquinazolin-2-one
CID 158836321
1-(2-chlorophenyl)-4-(2-methoxyethylamino)-7-methylpyrido[2,3-d]pyrimidin-2-one
CID 158585099
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
7-cyclopropyl-4-(cyclopropylmethylamino)-1-(1,2,3,4-tetrahydropyrazin-5-yl)quinazolin-2-one;molecular hydrogen
CID 166161564

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-fluoroquinazolin-2-one?
The IUPAC name of 7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-fluoroquinazolin-2-one (CID 151034532) is 7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-fluoroquinazolin-2-one.
What is the SMILES notation for 7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-fluoroquinazolin-2-one?
The canonical SMILES for 7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-fluoroquinazolin-2-one is O=c1nc(NCC2CC2)c2cc(F)c(Br)cc2n1-c1ccccc1Cl.
What is the InChIKey of 7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-fluoroquinazolin-2-one?
The InChIKey is MAUCZJKBEJHNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClFN3O/c19-12-8-16-11(7-14(12)21)17(22-9-10-5-6-10)23-18(25)24(16)15-4-2-1-3-13(15)20/h1-4,7-8,10H,5-6,9H2,(H,22,23,25).
What are the key properties of 7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-fluoroquinazolin-2-one?
7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-fluoroquinazolin-2-one has a molecular weight of 422.69 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-fluoroquinazolin-2-one is sourced from PubChem (CID 151034532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).