N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]quinoline-6-carboxamide

C21H27N3O2 — CID 110128202

IUPACN-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]quinoline-6-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O)c1ccc2ncccc2c1
InChIInChI=1S/C21H27N3O2/c25-20-18(7-1-2-8-19(20)24-12-3-4-13-24)23-21(26)16-9-10-17-15(14-16)6-5-11-22-17/h5-6,9-11,14,18-20,25H,1-4,7-8,12-13H2,(H,23,26)/t18-,19-,20-/m1/s1
InChIKeyFZGHMIJZMVQRFC-VAMGGRTRSA-N
MW353.47 g/mol
LogP2.73
Rot. Bonds3

About N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]quinoline-6-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]quinoline-6-carboxamide (PubChem CID 110128202) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]quinoline-6-carboxamide
PubChem CID110128202
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]quinoline-6-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O)c1ccc2ncccc2c1
InChIInChI=1S/C21H27N3O2/c25-20-18(7-1-2-8-19(20)24-12-3-4-13-24)23-21(26)16-9-10-17-15(14-16)6-5-11-22-17/h5-6,9-11,14,18-20,25H,1-4,7-8,12-13H2,(H,23,26)/t18-,19-,20-/m1/s1
InChIKeyFZGHMIJZMVQRFC-VAMGGRTRSA-N
XLogP2.73
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]benzamide
CID 110128189
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]benzamide
CID 110128257
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)naphthalene-2-carboxamide
CID 75414949
N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
CID 79688925
N-[(1R,2R)-2-piperidin-1-ylcyclohexyl]-1,3-benzothiazole-6-carboxamide
CID 70694815
ethane;quinoline-6-carboxylic acid
CID 91364452
N-(4-methylcyclohexyl)quinoline-6-carboxamide
CID 22136406
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-fluorobenzamide
CID 47036307
N-(3,3-dimethylcyclopentyl)quinoline-6-carboxamide
CID 115881808
N-[2-(cycloheptylamino)ethyl]quinoline-6-carboxamide;dihydrochloride
CID 119620989
N-(4-methoxypyrrolidin-3-yl)quinoline-6-carboxamide
CID 76975241
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-4-(methoxymethyl)benzamide
CID 110127912

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]quinoline-6-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]quinoline-6-carboxamide (CID 110128202) is N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]quinoline-6-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]quinoline-6-carboxamide is O=C(N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O)c1ccc2ncccc2c1.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]quinoline-6-carboxamide?
The InChIKey is FZGHMIJZMVQRFC-VAMGGRTRSA-N. The full InChI is InChI=1S/C21H27N3O2/c25-20-18(7-1-2-8-19(20)24-12-3-4-13-24)23-21(26)16-9-10-17-15(14-16)6-5-11-22-17/h5-6,9-11,14,18-20,25H,1-4,7-8,12-13H2,(H,23,26)/t18-,19-,20-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]quinoline-6-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]quinoline-6-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]quinoline-6-carboxamide is sourced from PubChem (CID 110128202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).