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

C19H17BrClN3O — CID 154933621

IUPAC7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-methylquinazolin-2-one
SMILESCc1cc2c(NCC3CC3)nc(=O)n(-c3ccccc3Cl)c2cc1Br
InChIInChI=1S/C19H17BrClN3O/c1-11-8-13-17(9-14(11)20)24(16-5-3-2-4-15(16)21)19(25)23-18(13)22-10-12-6-7-12/h2-5,8-9,12H,6-7,10H2,1H3,(H,22,23,25)
InChIKeyGORJTYVOTPFULX-UHFFFAOYSA-N
MW418.72 g/mol
LogP4.93
Rot. Bonds4

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

7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-methylquinazolin-2-one (PubChem CID 154933621) has the molecular formula C19H17BrClN3O and a molecular weight of 418.72 g/mol. Its IUPAC name is 7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-methylquinazolin-2-one.

Molecular Properties

Compound Name7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-methylquinazolin-2-one
PubChem CID154933621
Molecular FormulaC19H17BrClN3O
Molecular Weight418.72 g/mol
Exact Mass417.02
IUPAC Name7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-methylquinazolin-2-one
SMILESCc1cc2c(NCC3CC3)nc(=O)n(-c3ccccc3Cl)c2cc1Br
InChIInChI=1S/C19H17BrClN3O/c1-11-8-13-17(9-14(11)20)24(16-5-3-2-4-15(16)21)19(25)23-18(13)22-10-12-6-7-12/h2-5,8-9,12H,6-7,10H2,1H3,(H,22,23,25)
InChIKeyGORJTYVOTPFULX-UHFFFAOYSA-N
XLogP4.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.72
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-methylquinazolin-2-one?
The IUPAC name of 7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-methylquinazolin-2-one (CID 154933621) is 7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-methylquinazolin-2-one.
What is the SMILES notation for 7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-methylquinazolin-2-one?
The canonical SMILES for 7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-methylquinazolin-2-one is Cc1cc2c(NCC3CC3)nc(=O)n(-c3ccccc3Cl)c2cc1Br.
What is the InChIKey of 7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-methylquinazolin-2-one?
The InChIKey is GORJTYVOTPFULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrClN3O/c1-11-8-13-17(9-14(11)20)24(16-5-3-2-4-15(16)21)19(25)23-18(13)22-10-12-6-7-12/h2-5,8-9,12H,6-7,10H2,1H3,(H,22,23,25).
What are the key properties of 7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-methylquinazolin-2-one?
7-bromo-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-6-methylquinazolin-2-one has a molecular weight of 418.72 g/mol, XLogP of 4.93, 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-methylquinazolin-2-one is sourced from PubChem (CID 154933621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).