6-amino-7-[(4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one

C16H15BrN2O2 — CID 82805294

IUPAC6-amino-7-[(4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1OCc1ccc(Br)cc1)NC(=O)CC2
InChIInChI=1S/C16H15BrN2O2/c17-12-4-1-10(2-5-12)9-21-15-8-14-11(7-13(15)18)3-6-16(20)19-14/h1-2,4-5,7-8H,3,6,9,18H2,(H,19,20)
InChIKeyPVAKDKKPPOFTPR-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.49
Rot. Bonds3

About 6-amino-7-[(4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one

6-amino-7-[(4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82805294) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 6-amino-7-[(4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-[(4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID82805294
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name6-amino-7-[(4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1OCc1ccc(Br)cc1)NC(=O)CC2
InChIInChI=1S/C16H15BrN2O2/c17-12-4-1-10(2-5-12)9-21-15-8-14-11(7-13(15)18)3-6-16(20)19-14/h1-2,4-5,7-8H,3,6,9,18H2,(H,19,20)
InChIKeyPVAKDKKPPOFTPR-UHFFFAOYSA-N
XLogP3.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-7-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 82804474
4-[(6-bromo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzoic acid
CID 59316609
6-amino-7-heptoxy-3,4-dihydro-1H-quinolin-2-one
CID 43455700
6-amino-7-[3-(2-methoxyethoxy)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 103401017
7-amino-6-[(2-fluorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 63933837
6-[(3-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 115557423
6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one
CID 117209588
6-amino-7-trimethylsilyloxy-3,4-dihydro-1H-quinolin-2-one
CID 167723388
6-[(2-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114380710
6-amino-7-(4-methylphenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43455675
6-amino-7-(4-chlorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43455658
6-amino-7-(2,4-difluorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43455648

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-[(4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-[(4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one (CID 82805294) is 6-amino-7-[(4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-[(4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-[(4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one is Nc1cc2c(cc1OCc1ccc(Br)cc1)NC(=O)CC2.
What is the InChIKey of 6-amino-7-[(4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PVAKDKKPPOFTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c17-12-4-1-10(2-5-12)9-21-15-8-14-11(7-13(15)18)3-6-16(20)19-14/h1-2,4-5,7-8H,3,6,9,18H2,(H,19,20).
What are the key properties of 6-amino-7-[(4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-[(4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 347.21 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-[(4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82805294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).