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

C16H15BrN2O2 — CID 82804474

IUPAC6-amino-7-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1OCc1cccc(Br)c1)NC(=O)CC2
InChIInChI=1S/C16H15BrN2O2/c17-12-3-1-2-10(6-12)9-21-15-8-14-11(7-13(15)18)4-5-16(20)19-14/h1-3,6-8H,4-5,9,18H2,(H,19,20)
InChIKeyCGWNQRIBJLABLR-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.49
Rot. Bonds3

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

6-amino-7-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82804474) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 6-amino-7-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID82804474
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name6-amino-7-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1OCc1cccc(Br)c1)NC(=O)CC2
InChIInChI=1S/C16H15BrN2O2/c17-12-3-1-2-10(6-12)9-21-15-8-14-11(7-13(15)18)4-5-16(20)19-14/h1-3,6-8H,4-5,9,18H2,(H,19,20)
InChIKeyCGWNQRIBJLABLR-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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Frequently Asked Questions

What is the IUPAC name of 6-amino-7-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one (CID 82804474) is 6-amino-7-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one is Nc1cc2c(cc1OCc1cccc(Br)c1)NC(=O)CC2.
What is the InChIKey of 6-amino-7-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CGWNQRIBJLABLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c17-12-3-1-2-10(6-12)9-21-15-8-14-11(7-13(15)18)4-5-16(20)19-14/h1-3,6-8H,4-5,9,18H2,(H,19,20).
What are the key properties of 6-amino-7-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-[(3-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-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82804474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).