2-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide

C26H35N3O3 — CID 92638758

IUPAC2-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
SMILESCC(C)CNC(=O)c1cc([C@@H]2CCN(C(=O)CC3(O)CCCCC3)C2)nc2ccccc12
InChIInChI=1S/C26H35N3O3/c1-18(2)16-27-25(31)21-14-23(28-22-9-5-4-8-20(21)22)19-10-13-29(17-19)24(30)15-26(32)11-6-3-7-12-26/h4-5,8-9,14,18-19,32H,3,6-7,10-13,15-17H2,1-2H3,(H,27,31)/t19-/m1/s1
InChIKeyQVXKQUDENFQPLL-LJQANCHMSA-N
MW437.58 g/mol
LogP4.02
Rot. Bonds6

About 2-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide

2-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide (PubChem CID 92638758) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 2-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
PubChem CID92638758
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name2-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
SMILESCC(C)CNC(=O)c1cc([C@@H]2CCN(C(=O)CC3(O)CCCCC3)C2)nc2ccccc12
InChIInChI=1S/C26H35N3O3/c1-18(2)16-27-25(31)21-14-23(28-22-9-5-4-8-20(21)22)19-10-13-29(17-19)24(30)15-26(32)11-6-3-7-12-26/h4-5,8-9,14,18-19,32H,3,6-7,10-13,15-17H2,1-2H3,(H,27,31)/t19-/m1/s1
InChIKeyQVXKQUDENFQPLL-LJQANCHMSA-N
XLogP4.02
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide with MolForge

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Related Compounds

2-[(3S)-1-[4-(methoxymethyl)benzoyl]pyrrolidin-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92637717
N-(2-methoxyethyl)-2-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92638776
N-(2-methylpropyl)-2-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92639170
2-[(2R)-4-methylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638375
2-[(2R)-4-benzoylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638905
2-[(3S)-1-[3-(4-methylpiperidin-1-yl)propanoyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92638645
2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methylquinoline-4-carboxamide
CID 110251577
2-[(2S)-4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638282
N-(2-methoxyethyl)-2-[(3S)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92639155
2-[(3R)-1-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92637740
N,N-dimethyl-2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92636928
2-cyclopropyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]quinoline-4-carboxamide
CID 55376459

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide (CID 92638758) is 2-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide is CC(C)CNC(=O)c1cc([C@@H]2CCN(C(=O)CC3(O)CCCCC3)C2)nc2ccccc12.
What is the InChIKey of 2-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide?
The InChIKey is QVXKQUDENFQPLL-LJQANCHMSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-18(2)16-27-25(31)21-14-23(28-22-9-5-4-8-20(21)22)19-10-13-29(17-19)24(30)15-26(32)11-6-3-7-12-26/h4-5,8-9,14,18-19,32H,3,6-7,10-13,15-17H2,1-2H3,(H,27,31)/t19-/m1/s1.
What are the key properties of 2-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide?
2-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide has a molecular weight of 437.58 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 92638758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).