N-[4-(aminomethyl)cyclohexyl]-6-chloroquinoline-2-carboxamide

C17H20ClN3O — CID 155391375

IUPACN-[4-(aminomethyl)cyclohexyl]-6-chloroquinoline-2-carboxamide
SMILESNCC1CCC(NC(=O)c2ccc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C17H20ClN3O/c18-13-4-8-15-12(9-13)3-7-16(21-15)17(22)20-14-5-1-11(10-19)2-6-14/h3-4,7-9,11,14H,1-2,5-6,10,19H2,(H,20,22)
InChIKeyOISDONSEROZGGY-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.14
Rot. Bonds3

About N-[4-(aminomethyl)cyclohexyl]-6-chloroquinoline-2-carboxamide

N-[4-(aminomethyl)cyclohexyl]-6-chloroquinoline-2-carboxamide (PubChem CID 155391375) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[4-(aminomethyl)cyclohexyl]-6-chloroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)cyclohexyl]-6-chloroquinoline-2-carboxamide
PubChem CID155391375
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC NameN-[4-(aminomethyl)cyclohexyl]-6-chloroquinoline-2-carboxamide
SMILESNCC1CCC(NC(=O)c2ccc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C17H20ClN3O/c18-13-4-8-15-12(9-13)3-7-16(21-15)17(22)20-14-5-1-11(10-19)2-6-14/h3-4,7-9,11,14H,1-2,5-6,10,19H2,(H,20,22)
InChIKeyOISDONSEROZGGY-UHFFFAOYSA-N
XLogP3.14
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[(6-chloroquinoline-2-carbonyl)amino]methyl]cyclopentyl]carbamic acid
CID 155069060
7-chloro-N-cyclopentylquinoline-2-carboxamide
CID 110490278
tert-butyl 4-[(6-chloroquinoline-2-carbonyl)amino]piperidine-1-carboxylate
CID 139512502
[4-[(6-chloroquinoline-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate
CID 146506270
6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]cyclohexyl]quinoline-2-carboxamide
CID 138678465
[1-[(6-chloroquinoline-2-carbonyl)amino]piperidin-4-yl]methyl carbamate
CID 175221856
6-chloro-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]quinoline-2-carboxamide
CID 139517687
6-chloro-N-ethenylquinoline-2-carboxamide
CID 142528141
6-chloro-N-[1-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]piperidin-4-yl]quinoline-2-carboxamide
CID 158469591
tert-butyl 4-[[(6-chloroquinoline-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 155391643
N-(1-amino-2-cyclopropylpropan-2-yl)-7-chloroquinoline-2-carboxamide
CID 119573656
tert-butyl N-[[1-[(6-chloroquinoline-2-carbonyl)amino]piperidin-4-yl]methyl]carbamate
CID 155741710

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)cyclohexyl]-6-chloroquinoline-2-carboxamide?
The IUPAC name of N-[4-(aminomethyl)cyclohexyl]-6-chloroquinoline-2-carboxamide (CID 155391375) is N-[4-(aminomethyl)cyclohexyl]-6-chloroquinoline-2-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)cyclohexyl]-6-chloroquinoline-2-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)cyclohexyl]-6-chloroquinoline-2-carboxamide is NCC1CCC(NC(=O)c2ccc3cc(Cl)ccc3n2)CC1.
What is the InChIKey of N-[4-(aminomethyl)cyclohexyl]-6-chloroquinoline-2-carboxamide?
The InChIKey is OISDONSEROZGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c18-13-4-8-15-12(9-13)3-7-16(21-15)17(22)20-14-5-1-11(10-19)2-6-14/h3-4,7-9,11,14H,1-2,5-6,10,19H2,(H,20,22).
What are the key properties of N-[4-(aminomethyl)cyclohexyl]-6-chloroquinoline-2-carboxamide?
N-[4-(aminomethyl)cyclohexyl]-6-chloroquinoline-2-carboxamide has a molecular weight of 317.82 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)cyclohexyl]-6-chloroquinoline-2-carboxamide is sourced from PubChem (CID 155391375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).