N-[1-(aminomethyl)-3-methoxycyclobutyl]-5-chloroquinolin-8-amine

C15H18ClN3O — CID 106822333

IUPACN-[1-(aminomethyl)-3-methoxycyclobutyl]-5-chloroquinolin-8-amine
SMILESCOC1CC(CN)(Nc2ccc(Cl)c3cccnc23)C1
InChIInChI=1S/C15H18ClN3O/c1-20-10-7-15(8-10,9-17)19-13-5-4-12(16)11-3-2-6-18-14(11)13/h2-6,10,19H,7-9,17H2,1H3
InChIKeyOEAQJKYBXVXLES-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.81
Rot. Bonds4

About N-[1-(aminomethyl)-3-methoxycyclobutyl]-5-chloroquinolin-8-amine

N-[1-(aminomethyl)-3-methoxycyclobutyl]-5-chloroquinolin-8-amine (PubChem CID 106822333) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methoxycyclobutyl]-5-chloroquinolin-8-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methoxycyclobutyl]-5-chloroquinolin-8-amine
PubChem CID106822333
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[1-(aminomethyl)-3-methoxycyclobutyl]-5-chloroquinolin-8-amine
SMILESCOC1CC(CN)(Nc2ccc(Cl)c3cccnc23)C1
InChIInChI=1S/C15H18ClN3O/c1-20-10-7-15(8-10,9-17)19-13-5-4-12(16)11-3-2-6-18-14(11)13/h2-6,10,19H,7-9,17H2,1H3
InChIKeyOEAQJKYBXVXLES-UHFFFAOYSA-N
XLogP2.81
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]-5-chloroquinolin-8-amine
CID 116783635
2-N-(5-chloroquinolin-8-yl)-3-methoxy-2-methylbutane-1,2-diamine
CID 116783631
5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine
CID 63696724
4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 116783853
5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)quinolin-8-amine
CID 64851147
2-N-(5-chloroquinolin-8-yl)-2,4-dimethylpentane-1,2-diamine
CID 116783607
2-N-(5-chloroquinolin-8-yl)octane-1,2-diamine
CID 116783677
5-chloro-N-[(2-methoxyphenyl)methyl]quinolin-8-amine
CID 60927659
5-chloro-8-(sulfamoylamino)quinoline
CID 112573673
N-(5-chloroquinolin-8-yl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 116785087
1-(5-chloroquinolin-8-yl)-3-(1-methoxypropan-2-yl)thiourea
CID 115577737
2-N-(5-chloroquinolin-8-yl)-4-methoxybenzene-1,2-diamine
CID 116783039

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methoxycyclobutyl]-5-chloroquinolin-8-amine?
The IUPAC name of N-[1-(aminomethyl)-3-methoxycyclobutyl]-5-chloroquinolin-8-amine (CID 106822333) is N-[1-(aminomethyl)-3-methoxycyclobutyl]-5-chloroquinolin-8-amine.
What is the SMILES notation for N-[1-(aminomethyl)-3-methoxycyclobutyl]-5-chloroquinolin-8-amine?
The canonical SMILES for N-[1-(aminomethyl)-3-methoxycyclobutyl]-5-chloroquinolin-8-amine is COC1CC(CN)(Nc2ccc(Cl)c3cccnc23)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-methoxycyclobutyl]-5-chloroquinolin-8-amine?
The InChIKey is OEAQJKYBXVXLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-20-10-7-15(8-10,9-17)19-13-5-4-12(16)11-3-2-6-18-14(11)13/h2-6,10,19H,7-9,17H2,1H3.
What are the key properties of N-[1-(aminomethyl)-3-methoxycyclobutyl]-5-chloroquinolin-8-amine?
N-[1-(aminomethyl)-3-methoxycyclobutyl]-5-chloroquinolin-8-amine has a molecular weight of 291.78 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-methoxycyclobutyl]-5-chloroquinolin-8-amine is sourced from PubChem (CID 106822333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).