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

C18H14BrCl2N3O — CID 147997672

IUPAC7-bromo-6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)quinazolin-2-one
SMILESO=c1nc(NCC2CC2)c2cc(Cl)c(Br)cc2n1-c1ccccc1Cl
InChIInChI=1S/C18H14BrCl2N3O/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)
InChIKeyIWICBEAAVZXZBT-UHFFFAOYSA-N
MW439.14 g/mol
LogP5.28
Rot. Bonds4

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

7-bromo-6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)quinazolin-2-one (PubChem CID 147997672) has the molecular formula C18H14BrCl2N3O and a molecular weight of 439.14 g/mol. Its IUPAC name is 7-bromo-6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)quinazolin-2-one.

Molecular Properties

Compound Name7-bromo-6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)quinazolin-2-one
PubChem CID147997672
Molecular FormulaC18H14BrCl2N3O
Molecular Weight439.14 g/mol
Exact Mass436.97
IUPAC Name7-bromo-6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)quinazolin-2-one
SMILESO=c1nc(NCC2CC2)c2cc(Cl)c(Br)cc2n1-c1ccccc1Cl
InChIInChI=1S/C18H14BrCl2N3O/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)
InChIKeyIWICBEAAVZXZBT-UHFFFAOYSA-N
XLogP5.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.14
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)quinazolin-2-one?
The IUPAC name of 7-bromo-6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)quinazolin-2-one (CID 147997672) is 7-bromo-6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)quinazolin-2-one.
What is the SMILES notation for 7-bromo-6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)quinazolin-2-one?
The canonical SMILES for 7-bromo-6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)quinazolin-2-one is O=c1nc(NCC2CC2)c2cc(Cl)c(Br)cc2n1-c1ccccc1Cl.
What is the InChIKey of 7-bromo-6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)quinazolin-2-one?
The InChIKey is IWICBEAAVZXZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrCl2N3O/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-6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)quinazolin-2-one?
7-bromo-6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)quinazolin-2-one has a molecular weight of 439.14 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)quinazolin-2-one is sourced from PubChem (CID 147997672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).