(3R)-3-[(7-bromoquinolin-4-yl)amino]-4-methylpentan-1-ol

C15H19BrN2O — CID 96514670

IUPAC(3R)-3-[(7-bromoquinolin-4-yl)amino]-4-methylpentan-1-ol
SMILESCC(C)[C@@H](CCO)Nc1ccnc2cc(Br)ccc12
InChIInChI=1S/C15H19BrN2O/c1-10(2)13(6-8-19)18-14-5-7-17-15-9-11(16)3-4-12(14)15/h3-5,7,9-10,13,19H,6,8H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyGTQMVQNQVYQQCK-CYBMUJFWSA-N
MW323.23 g/mol
LogP3.82
Rot. Bonds5

About (3R)-3-[(7-bromoquinolin-4-yl)amino]-4-methylpentan-1-ol

(3R)-3-[(7-bromoquinolin-4-yl)amino]-4-methylpentan-1-ol (PubChem CID 96514670) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is (3R)-3-[(7-bromoquinolin-4-yl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(7-bromoquinolin-4-yl)amino]-4-methylpentan-1-ol
PubChem CID96514670
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name(3R)-3-[(7-bromoquinolin-4-yl)amino]-4-methylpentan-1-ol
SMILESCC(C)[C@@H](CCO)Nc1ccnc2cc(Br)ccc12
InChIInChI=1S/C15H19BrN2O/c1-10(2)13(6-8-19)18-14-5-7-17-15-9-11(16)3-4-12(14)15/h3-5,7,9-10,13,19H,6,8H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyGTQMVQNQVYQQCK-CYBMUJFWSA-N
XLogP3.82
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-[(7-bromoquinolin-4-yl)amino]-4-methylpentan-1-ol with MolForge

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Related Compounds

(2S)-2-[(6-bromoquinolin-4-yl)amino]-3-methylbutan-1-ol
CID 133337923
1-[(7-bromoquinolin-4-yl)amino]-2-methylpropan-2-ol
CID 165134506
4-N-(7-bromoquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;phosphoric acid
CID 21150567
(3R)-3-[(6-bromoquinolin-4-yl)amino]-3-phenylpropan-1-ol
CID 133329147
6-bromo-N-propan-2-ylquinolin-4-amine
CID 150956944
3-[(3-bromo-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 106350440
(7-bromoquinolin-4-yl)methanol
CID 57139704
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 106350476
3-[(2-chloro-4-pyridinyl)amino]-4-methylpentan-1-ol
CID 103757100
N-(1-chloro-3-methylbutan-2-yl)quinolin-4-amine
CID 79267735
3-[(2-amino-4-pyridinyl)amino]-4-methylpentan-1-ol
CID 106358019
3-[(7-aminoquinazolin-4-yl)amino]-4-methylpentan-1-ol
CID 106348202

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(7-bromoquinolin-4-yl)amino]-4-methylpentan-1-ol?
The IUPAC name of (3R)-3-[(7-bromoquinolin-4-yl)amino]-4-methylpentan-1-ol (CID 96514670) is (3R)-3-[(7-bromoquinolin-4-yl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for (3R)-3-[(7-bromoquinolin-4-yl)amino]-4-methylpentan-1-ol?
The canonical SMILES for (3R)-3-[(7-bromoquinolin-4-yl)amino]-4-methylpentan-1-ol is CC(C)[C@@H](CCO)Nc1ccnc2cc(Br)ccc12.
What is the InChIKey of (3R)-3-[(7-bromoquinolin-4-yl)amino]-4-methylpentan-1-ol?
The InChIKey is GTQMVQNQVYQQCK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-10(2)13(6-8-19)18-14-5-7-17-15-9-11(16)3-4-12(14)15/h3-5,7,9-10,13,19H,6,8H2,1-2H3,(H,17,18)/t13-/m1/s1.
What are the key properties of (3R)-3-[(7-bromoquinolin-4-yl)amino]-4-methylpentan-1-ol?
(3R)-3-[(7-bromoquinolin-4-yl)amino]-4-methylpentan-1-ol has a molecular weight of 323.23 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(7-bromoquinolin-4-yl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 96514670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).