3-(3-amino-6-bromo-4-phenylquinolin-2-yl)pentan-3-ol

C20H21BrN2O — CID 132590342

IUPAC3-(3-amino-6-bromo-4-phenylquinolin-2-yl)pentan-3-ol
SMILESCCC(O)(CC)c1nc2ccc(Br)cc2c(-c2ccccc2)c1N
InChIInChI=1S/C20H21BrN2O/c1-3-20(24,4-2)19-18(22)17(13-8-6-5-7-9-13)15-12-14(21)10-11-16(15)23-19/h5-12,24H,3-4,22H2,1-2H3
InChIKeyJZFUYCPRSKZWKO-UHFFFAOYSA-N
MW385.31 g/mol
LogP5.25
Rot. Bonds4

About 3-(3-amino-6-bromo-4-phenylquinolin-2-yl)pentan-3-ol

3-(3-amino-6-bromo-4-phenylquinolin-2-yl)pentan-3-ol (PubChem CID 132590342) has the molecular formula C20H21BrN2O and a molecular weight of 385.31 g/mol. Its IUPAC name is 3-(3-amino-6-bromo-4-phenylquinolin-2-yl)pentan-3-ol.

Molecular Properties

Compound Name3-(3-amino-6-bromo-4-phenylquinolin-2-yl)pentan-3-ol
PubChem CID132590342
Molecular FormulaC20H21BrN2O
Molecular Weight385.31 g/mol
Exact Mass384.08
IUPAC Name3-(3-amino-6-bromo-4-phenylquinolin-2-yl)pentan-3-ol
SMILESCCC(O)(CC)c1nc2ccc(Br)cc2c(-c2ccccc2)c1N
InChIInChI=1S/C20H21BrN2O/c1-3-20(24,4-2)19-18(22)17(13-8-6-5-7-9-13)15-12-14(21)10-11-16(15)23-19/h5-12,24H,3-4,22H2,1-2H3
InChIKeyJZFUYCPRSKZWKO-UHFFFAOYSA-N
XLogP5.25
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.31
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-amino-6-chloro-4-phenylquinolin-2-yl)pentan-3-ol
CID 132590343
3-(3-amino-6-bromo-4-methylquinolin-2-yl)pentan-3-ol
CID 132590355
2-(3-amino-4-phenylquinolin-2-yl)propan-2-ol
CID 132590331
2-(3-amino-6-bromo-4-methylquinolin-2-yl)propan-2-ol
CID 132590349
6-bromo-2-phenylquinazolin-4-amine
CID 15879877
1-(6-bromo-2-ethyl-4-phenylquinolin-3-yl)propan-2-one
CID 69343307
3-(6-bromo-4-phenyl-2-propan-2-ylquinolin-3-yl)-3-ethylheptan-4-one
CID 69367454
1-(3-acetyl-6-bromo-4-phenylquinolin-2-yl)oxybutan-2-one
CID 4580660
(6-bromo-3-nitro-4-phenylquinolin-2-yl)hydrazine
CID 4736395
12-bromo-14-(4-phenylphenyl)phenanthro[9,10-b]quinoline
CID 141398118
N-(6-bromo-2,3-diphenylquinolin-4-yl)-N-methylsulfonylmethanesulfonamide
CID 155589095
(7-bromo-1-phenylnaphthalen-2-yl)methanamine
CID 115057609

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-6-bromo-4-phenylquinolin-2-yl)pentan-3-ol?
The IUPAC name of 3-(3-amino-6-bromo-4-phenylquinolin-2-yl)pentan-3-ol (CID 132590342) is 3-(3-amino-6-bromo-4-phenylquinolin-2-yl)pentan-3-ol.
What is the SMILES notation for 3-(3-amino-6-bromo-4-phenylquinolin-2-yl)pentan-3-ol?
The canonical SMILES for 3-(3-amino-6-bromo-4-phenylquinolin-2-yl)pentan-3-ol is CCC(O)(CC)c1nc2ccc(Br)cc2c(-c2ccccc2)c1N.
What is the InChIKey of 3-(3-amino-6-bromo-4-phenylquinolin-2-yl)pentan-3-ol?
The InChIKey is JZFUYCPRSKZWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O/c1-3-20(24,4-2)19-18(22)17(13-8-6-5-7-9-13)15-12-14(21)10-11-16(15)23-19/h5-12,24H,3-4,22H2,1-2H3.
What are the key properties of 3-(3-amino-6-bromo-4-phenylquinolin-2-yl)pentan-3-ol?
3-(3-amino-6-bromo-4-phenylquinolin-2-yl)pentan-3-ol has a molecular weight of 385.31 g/mol, XLogP of 5.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-6-bromo-4-phenylquinolin-2-yl)pentan-3-ol is sourced from PubChem (CID 132590342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).