2-N-(5-chloroquinolin-8-yl)-3-methoxy-2-methylbutane-1,2-diamine

C15H20ClN3O — CID 116783631

IUPAC2-N-(5-chloroquinolin-8-yl)-3-methoxy-2-methylbutane-1,2-diamine
SMILESCOC(C)C(C)(CN)Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H20ClN3O/c1-10(20-3)15(2,9-17)19-13-7-6-12(16)11-5-4-8-18-14(11)13/h4-8,10,19H,9,17H2,1-3H3
InChIKeyROGXSYIHTFJCPU-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.05
Rot. Bonds5

About 2-N-(5-chloroquinolin-8-yl)-3-methoxy-2-methylbutane-1,2-diamine

2-N-(5-chloroquinolin-8-yl)-3-methoxy-2-methylbutane-1,2-diamine (PubChem CID 116783631) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-N-(5-chloroquinolin-8-yl)-3-methoxy-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-chloroquinolin-8-yl)-3-methoxy-2-methylbutane-1,2-diamine
PubChem CID116783631
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name2-N-(5-chloroquinolin-8-yl)-3-methoxy-2-methylbutane-1,2-diamine
SMILESCOC(C)C(C)(CN)Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H20ClN3O/c1-10(20-3)15(2,9-17)19-13-7-6-12(16)11-5-4-8-18-14(11)13/h4-8,10,19H,9,17H2,1-3H3
InChIKeyROGXSYIHTFJCPU-UHFFFAOYSA-N
XLogP3.05
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(5-chloroquinolin-8-yl)-2,4-dimethylpentane-1,2-diamine
CID 116783607
5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine
CID 63696724
2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide
CID 60928670
N-[1-(aminomethyl)-3-methoxycyclobutyl]-5-chloroquinolin-8-amine
CID 106822333
4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 116783853
N-butan-2-yl-2-[(5-chloroquinolin-8-yl)amino]acetamide
CID 116783982
5-chloro-N-[(2-methoxyphenyl)methyl]quinolin-8-amine
CID 60927659
3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide
CID 63680758
3-[(5-chloroquinolin-8-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 116783958
2,3-dimethyl-2-N-(8-nitroquinolin-5-yl)butane-1,2-diamine
CID 115310850
1-(5-chloroquinolin-8-yl)-3-(1-methoxypropan-2-yl)thiourea
CID 115577737
2-[(5-chloroquinolin-8-yl)amino]propanoic acid
CID 66172326

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloroquinolin-8-yl)-3-methoxy-2-methylbutane-1,2-diamine?
The IUPAC name of 2-N-(5-chloroquinolin-8-yl)-3-methoxy-2-methylbutane-1,2-diamine (CID 116783631) is 2-N-(5-chloroquinolin-8-yl)-3-methoxy-2-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(5-chloroquinolin-8-yl)-3-methoxy-2-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-(5-chloroquinolin-8-yl)-3-methoxy-2-methylbutane-1,2-diamine is COC(C)C(C)(CN)Nc1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-N-(5-chloroquinolin-8-yl)-3-methoxy-2-methylbutane-1,2-diamine?
The InChIKey is ROGXSYIHTFJCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-10(20-3)15(2,9-17)19-13-7-6-12(16)11-5-4-8-18-14(11)13/h4-8,10,19H,9,17H2,1-3H3.
What are the key properties of 2-N-(5-chloroquinolin-8-yl)-3-methoxy-2-methylbutane-1,2-diamine?
2-N-(5-chloroquinolin-8-yl)-3-methoxy-2-methylbutane-1,2-diamine has a molecular weight of 293.80 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloroquinolin-8-yl)-3-methoxy-2-methylbutane-1,2-diamine is sourced from PubChem (CID 116783631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).