2-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide

C23H29N3O3 — CID 95813013

IUPAC2-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)NC(=O)c1cc([C@@H]2CN(C(=O)C3CCCC3)CCO2)nc2ccccc12
InChIInChI=1S/C23H29N3O3/c1-15(2)24-22(27)18-13-20(25-19-10-6-5-9-17(18)19)21-14-26(11-12-29-21)23(28)16-7-3-4-8-16/h5-6,9-10,13,15-16,21H,3-4,7-8,11-12,14H2,1-2H3,(H,24,27)/t21-/m0/s1
InChIKeyNCWXJLWXAZORRD-NRFANRHFSA-N
MW395.50 g/mol
LogP3.46
Rot. Bonds4

About 2-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide

2-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide (PubChem CID 95813013) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
PubChem CID95813013
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)NC(=O)c1cc([C@@H]2CN(C(=O)C3CCCC3)CCO2)nc2ccccc12
InChIInChI=1S/C23H29N3O3/c1-15(2)24-22(27)18-13-20(25-19-10-6-5-9-17(18)19)21-14-26(11-12-29-21)23(28)16-7-3-4-8-16/h5-6,9-10,13,15-16,21H,3-4,7-8,11-12,14H2,1-2H3,(H,24,27)/t21-/m0/s1
InChIKeyNCWXJLWXAZORRD-NRFANRHFSA-N
XLogP3.46
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-4-(3-cyclopentylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92639075
N-propan-2-yl-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92638218
N-propan-2-yl-2-[(2S)-4-(pyridine-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 95815271
2-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 95812979
N-propan-2-yl-2-[(2S)-4-pyrimidin-2-ylmorpholin-2-yl]quinoline-4-carboxamide
CID 92638356
N-propan-2-yl-2-(4-pyrimidin-2-ylmorpholin-2-yl)quinoline-4-carboxamide
CID 110251927
2-[(2S)-4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92639143
2-[(2R)-4-[2-(methylamino)pyridine-4-carbonyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92639142
2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92639121
2-[4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 155983035
2-[(2R)-4-benzoylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638905
2-[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92638417

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of 2-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide (CID 95813013) is 2-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for 2-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide is CC(C)NC(=O)c1cc([C@@H]2CN(C(=O)C3CCCC3)CCO2)nc2ccccc12.
What is the InChIKey of 2-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide?
The InChIKey is NCWXJLWXAZORRD-NRFANRHFSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-15(2)24-22(27)18-13-20(25-19-10-6-5-9-17(18)19)21-14-26(11-12-29-21)23(28)16-7-3-4-8-16/h5-6,9-10,13,15-16,21H,3-4,7-8,11-12,14H2,1-2H3,(H,24,27)/t21-/m0/s1.
What are the key properties of 2-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide?
2-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 95813013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).