N-cyclopropyl-2-[3-(2-hydroxycyclohexyl)propylamino]quinoline-4-carboxamide

C22H29N3O2 — CID 133385061

IUPACN-cyclopropyl-2-[3-(2-hydroxycyclohexyl)propylamino]quinoline-4-carboxamide
SMILESO=C(NC1CC1)c1cc(NCCCC2CCCCC2O)nc2ccccc12
InChIInChI=1S/C22H29N3O2/c26-20-10-4-1-6-15(20)7-5-13-23-21-14-18(22(27)24-16-11-12-16)17-8-2-3-9-19(17)25-21/h2-3,8-9,14-16,20,26H,1,4-7,10-13H2,(H,23,25)(H,24,27)
InChIKeyXTMSDXAUOJQUJR-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.87
Rot. Bonds7

About N-cyclopropyl-2-[3-(2-hydroxycyclohexyl)propylamino]quinoline-4-carboxamide

N-cyclopropyl-2-[3-(2-hydroxycyclohexyl)propylamino]quinoline-4-carboxamide (PubChem CID 133385061) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-(2-hydroxycyclohexyl)propylamino]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-(2-hydroxycyclohexyl)propylamino]quinoline-4-carboxamide
PubChem CID133385061
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-cyclopropyl-2-[3-(2-hydroxycyclohexyl)propylamino]quinoline-4-carboxamide
SMILESO=C(NC1CC1)c1cc(NCCCC2CCCCC2O)nc2ccccc12
InChIInChI=1S/C22H29N3O2/c26-20-10-4-1-6-15(20)7-5-13-23-21-14-18(22(27)24-16-11-12-16)17-8-2-3-9-19(17)25-21/h2-3,8-9,14-16,20,26H,1,4-7,10-13H2,(H,23,25)(H,24,27)
InChIKeyXTMSDXAUOJQUJR-UHFFFAOYSA-N
XLogP3.87
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-tert-butylsulfanylethylamino)-N-cyclopropylquinoline-4-carboxamide
CID 133275936
2-[3-(2-hydroxycyclohexyl)propylamino]-3H-quinazolin-4-one
CID 137265029
N-cyclopropyl-2-[(1-methylpiperidin-3-yl)methylamino]quinoline-4-carboxamide
CID 133454577
N-cyclopropyl-2-[2-(6-methyl-3-pyridinyl)ethylamino]quinoline-4-carboxamide
CID 133361337
2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid
CID 122058339
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-N-cyclopropylquinoline-4-carboxamide
CID 112802306
2-[3-[cyclohexyl(methyl)amino]propylamino]quinoline-4-carboxylic acid
CID 50805947
N-cyclohexyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide
CID 15990902
N-cyclooctyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide
CID 20854533
N-cyclopropyl-2-[(2-morpholin-4-yl-2-phenylethyl)amino]quinoline-4-carboxamide
CID 139000419
2-[3-[[2-(difluoromethyl)quinazolin-4-yl]amino]propyl]cyclohexan-1-ol
CID 133385042
N-cyclopropyl-2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]quinoline-4-carboxamide
CID 138998187

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-(2-hydroxycyclohexyl)propylamino]quinoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[3-(2-hydroxycyclohexyl)propylamino]quinoline-4-carboxamide (CID 133385061) is N-cyclopropyl-2-[3-(2-hydroxycyclohexyl)propylamino]quinoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[3-(2-hydroxycyclohexyl)propylamino]quinoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[3-(2-hydroxycyclohexyl)propylamino]quinoline-4-carboxamide is O=C(NC1CC1)c1cc(NCCCC2CCCCC2O)nc2ccccc12.
What is the InChIKey of N-cyclopropyl-2-[3-(2-hydroxycyclohexyl)propylamino]quinoline-4-carboxamide?
The InChIKey is XTMSDXAUOJQUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c26-20-10-4-1-6-15(20)7-5-13-23-21-14-18(22(27)24-16-11-12-16)17-8-2-3-9-19(17)25-21/h2-3,8-9,14-16,20,26H,1,4-7,10-13H2,(H,23,25)(H,24,27).
What are the key properties of N-cyclopropyl-2-[3-(2-hydroxycyclohexyl)propylamino]quinoline-4-carboxamide?
N-cyclopropyl-2-[3-(2-hydroxycyclohexyl)propylamino]quinoline-4-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 3.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-(2-hydroxycyclohexyl)propylamino]quinoline-4-carboxamide is sourced from PubChem (CID 133385061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).