3-bromo-6-chloro-N-[(4-methoxyphenyl)methyl]quinolin-2-amine

C17H14BrClN2O — CID 66800577

IUPAC3-bromo-6-chloro-N-[(4-methoxyphenyl)methyl]quinolin-2-amine
SMILESCOc1ccc(CNc2nc3ccc(Cl)cc3cc2Br)cc1
InChIInChI=1S/C17H14BrClN2O/c1-22-14-5-2-11(3-6-14)10-20-17-15(18)9-12-8-13(19)4-7-16(12)21-17/h2-9H,10H2,1H3,(H,20,21)
InChIKeyAOPNIFWKRDOEPJ-UHFFFAOYSA-N
MW377.67 g/mol
LogP5.27
Rot. Bonds4

About 3-bromo-6-chloro-N-[(4-methoxyphenyl)methyl]quinolin-2-amine

3-bromo-6-chloro-N-[(4-methoxyphenyl)methyl]quinolin-2-amine (PubChem CID 66800577) has the molecular formula C17H14BrClN2O and a molecular weight of 377.67 g/mol. Its IUPAC name is 3-bromo-6-chloro-N-[(4-methoxyphenyl)methyl]quinolin-2-amine.

Molecular Properties

Compound Name3-bromo-6-chloro-N-[(4-methoxyphenyl)methyl]quinolin-2-amine
PubChem CID66800577
Molecular FormulaC17H14BrClN2O
Molecular Weight377.67 g/mol
Exact Mass376.00
IUPAC Name3-bromo-6-chloro-N-[(4-methoxyphenyl)methyl]quinolin-2-amine
SMILESCOc1ccc(CNc2nc3ccc(Cl)cc3cc2Br)cc1
InChIInChI=1S/C17H14BrClN2O/c1-22-14-5-2-11(3-6-14)10-20-17-15(18)9-12-8-13(19)4-7-16(12)21-17/h2-9H,10H2,1H3,(H,20,21)
InChIKeyAOPNIFWKRDOEPJ-UHFFFAOYSA-N
XLogP5.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.67
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(5-amino-3-pyridinyl)-3-bromo-N-[(4-methoxyphenyl)methyl]quinolin-2-amine
CID 66800812
6-chloro-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)quinolin-2-amine
CID 166443079
3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 29285859
6-chloro-8-fluoro-N-[(4-methoxyphenyl)methyl]phthalazin-1-amine
CID 168957431
2-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]pyridin-3-amine
CID 58268233
3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline
CID 23994439
6-bromo-7-[(4-methoxyphenyl)methylamino]-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 167185234
2-bromo-6-chlorophenanthridine;2-bromo-N-[(4-methoxyphenyl)methyl]phenanthridin-6-amine;(4-methoxyphenyl)methanamine
CID 161460364
4-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]aniline
CID 142720853
methyl 4-chloro-2-[(4-methoxyphenyl)methylamino]-3-methylquinoline-6-carboxylate
CID 156831006
N-[(2-bromo-5-chlorophenyl)methyl]-4-methoxyaniline
CID 66160837
4-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]aniline
CID 43347330

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-chloro-N-[(4-methoxyphenyl)methyl]quinolin-2-amine?
The IUPAC name of 3-bromo-6-chloro-N-[(4-methoxyphenyl)methyl]quinolin-2-amine (CID 66800577) is 3-bromo-6-chloro-N-[(4-methoxyphenyl)methyl]quinolin-2-amine.
What is the SMILES notation for 3-bromo-6-chloro-N-[(4-methoxyphenyl)methyl]quinolin-2-amine?
The canonical SMILES for 3-bromo-6-chloro-N-[(4-methoxyphenyl)methyl]quinolin-2-amine is COc1ccc(CNc2nc3ccc(Cl)cc3cc2Br)cc1.
What is the InChIKey of 3-bromo-6-chloro-N-[(4-methoxyphenyl)methyl]quinolin-2-amine?
The InChIKey is AOPNIFWKRDOEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN2O/c1-22-14-5-2-11(3-6-14)10-20-17-15(18)9-12-8-13(19)4-7-16(12)21-17/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of 3-bromo-6-chloro-N-[(4-methoxyphenyl)methyl]quinolin-2-amine?
3-bromo-6-chloro-N-[(4-methoxyphenyl)methyl]quinolin-2-amine has a molecular weight of 377.67 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-chloro-N-[(4-methoxyphenyl)methyl]quinolin-2-amine is sourced from PubChem (CID 66800577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).