O-[(3R)-3-[(7-chloroquinolin-4-yl)amino]butyl]hydroxylamine

C13H16ClN3O — CID 129361753

IUPACO-[(3R)-3-[(7-chloroquinolin-4-yl)amino]butyl]hydroxylamine
SMILESC[C@H](CCON)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C13H16ClN3O/c1-9(5-7-18-15)17-12-4-6-16-13-8-10(14)2-3-11(12)13/h2-4,6,8-9H,5,7,15H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyDUULOANNGVDXOC-SECBINFHSA-N
MW265.74 g/mol
LogP2.97
Rot. Bonds5

About O-[(3R)-3-[(7-chloroquinolin-4-yl)amino]butyl]hydroxylamine

O-[(3R)-3-[(7-chloroquinolin-4-yl)amino]butyl]hydroxylamine (PubChem CID 129361753) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is O-[(3R)-3-[(7-chloroquinolin-4-yl)amino]butyl]hydroxylamine.

Molecular Properties

Compound NameO-[(3R)-3-[(7-chloroquinolin-4-yl)amino]butyl]hydroxylamine
PubChem CID129361753
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC NameO-[(3R)-3-[(7-chloroquinolin-4-yl)amino]butyl]hydroxylamine
SMILESC[C@H](CCON)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C13H16ClN3O/c1-9(5-7-18-15)17-12-4-6-16-13-8-10(14)2-3-11(12)13/h2-4,6,8-9H,5,7,15H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyDUULOANNGVDXOC-SECBINFHSA-N
XLogP2.97
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-4-bromobutan-2-yl]-7-chloroquinolin-4-amine
CID 129361750
7-chloro-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine
CID 115637682
3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine
CID 10267118
7-chloro-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine
CID 133365714
7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine
CID 28826141
(2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 11666461
2-aminoethyl N-[4-[(7-chloroquinolin-4-yl)amino]pentyl]carbamate;ethane;ethene
CID 144714247
1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine
CID 153353135
2-[(7-chloroquinolin-4-yl)amino]-3-methoxypropan-1-ol
CID 114094467
7-chloro-N-(4-chloro-3-methylbutan-2-yl)quinolin-4-amine
CID 113484977
N-[4-[(7-chloroquinolin-4-yl)amino]pentyl]-2-hydroxyacetamide
CID 46781267
4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-pentylpentane-1,4-diamine
CID 178050529

Frequently Asked Questions

What is the IUPAC name of O-[(3R)-3-[(7-chloroquinolin-4-yl)amino]butyl]hydroxylamine?
The IUPAC name of O-[(3R)-3-[(7-chloroquinolin-4-yl)amino]butyl]hydroxylamine (CID 129361753) is O-[(3R)-3-[(7-chloroquinolin-4-yl)amino]butyl]hydroxylamine.
What is the SMILES notation for O-[(3R)-3-[(7-chloroquinolin-4-yl)amino]butyl]hydroxylamine?
The canonical SMILES for O-[(3R)-3-[(7-chloroquinolin-4-yl)amino]butyl]hydroxylamine is C[C@H](CCON)Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of O-[(3R)-3-[(7-chloroquinolin-4-yl)amino]butyl]hydroxylamine?
The InChIKey is DUULOANNGVDXOC-SECBINFHSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-9(5-7-18-15)17-12-4-6-16-13-8-10(14)2-3-11(12)13/h2-4,6,8-9H,5,7,15H2,1H3,(H,16,17)/t9-/m1/s1.
What are the key properties of O-[(3R)-3-[(7-chloroquinolin-4-yl)amino]butyl]hydroxylamine?
O-[(3R)-3-[(7-chloroquinolin-4-yl)amino]butyl]hydroxylamine has a molecular weight of 265.74 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3R)-3-[(7-chloroquinolin-4-yl)amino]butyl]hydroxylamine is sourced from PubChem (CID 129361753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).