8-chloro-7-hydroxy-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide

C19H23ClN2O3 — CID 137241065

IUPAC8-chloro-7-hydroxy-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
SMILESCC(C)(O)C1CCC(NC(=O)c2cnc3c(Cl)c(O)ccc3c2)CC1
InChIInChI=1S/C19H23ClN2O3/c1-19(2,25)13-4-6-14(7-5-13)22-18(24)12-9-11-3-8-15(23)16(20)17(11)21-10-12/h3,8-10,13-14,23,25H,4-7H2,1-2H3,(H,22,24)
InChIKeyXSOKFCXJINAXLF-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.65
Rot. Bonds3

About 8-chloro-7-hydroxy-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide

8-chloro-7-hydroxy-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide (PubChem CID 137241065) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 8-chloro-7-hydroxy-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name8-chloro-7-hydroxy-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
PubChem CID137241065
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name8-chloro-7-hydroxy-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
SMILESCC(C)(O)C1CCC(NC(=O)c2cnc3c(Cl)c(O)ccc3c2)CC1
InChIInChI=1S/C19H23ClN2O3/c1-19(2,25)13-4-6-14(7-5-13)22-18(24)12-9-11-3-8-15(23)16(20)17(11)21-10-12/h3,8-10,13-14,23,25H,4-7H2,1-2H3,(H,22,24)
InChIKeyXSOKFCXJINAXLF-UHFFFAOYSA-N
XLogP3.65
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

7-(dimethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
CID 129247376
6-chloro-7-(1,1-difluoroethyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
CID 129247343
6-chloro-7-(2-fluoropropan-2-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
CID 129247336
7-(3-fluoroazetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide
CID 137363100
6-chloro-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-(propan-2-ylamino)quinoline-3-carboxamide;molecular hydrogen
CID 159593542
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(methylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide
CID 138688290
2-(dicyclopropylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide
CID 138688252
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(1-methylimidazo[1,5-a]pyridin-3-yl)pyrimidine-5-carboxamide
CID 176791093
8-methoxy-N-(4-methylcyclohexyl)quinoline-3-carboxamide
CID 22136433
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-5-methoxy-6-(3-methylindazol-1-yl)pyridine-3-carboxamide
CID 176790964
7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide
CID 22136439
N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-7-methoxyquinoline-3-carboxamide
CID 129247320

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-hydroxy-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide?
The IUPAC name of 8-chloro-7-hydroxy-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide (CID 137241065) is 8-chloro-7-hydroxy-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide.
What is the SMILES notation for 8-chloro-7-hydroxy-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide?
The canonical SMILES for 8-chloro-7-hydroxy-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide is CC(C)(O)C1CCC(NC(=O)c2cnc3c(Cl)c(O)ccc3c2)CC1.
What is the InChIKey of 8-chloro-7-hydroxy-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide?
The InChIKey is XSOKFCXJINAXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-19(2,25)13-4-6-14(7-5-13)22-18(24)12-9-11-3-8-15(23)16(20)17(11)21-10-12/h3,8-10,13-14,23,25H,4-7H2,1-2H3,(H,22,24).
What are the key properties of 8-chloro-7-hydroxy-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide?
8-chloro-7-hydroxy-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide has a molecular weight of 362.86 g/mol, XLogP of 3.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-hydroxy-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide is sourced from PubChem (CID 137241065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).