N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]quinoline-6-carboxamide

C32H39N5O4 — CID 23625786

IUPACN-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]quinoline-6-carboxamide
SMILESO=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1ccc2ncccc2c1
InChIInChI=1S/C32H39N5O4/c38-29(26-11-12-27-25(23-26)10-6-15-33-27)36-32(13-4-5-14-32)31(40)35-28(22-24-8-2-1-3-9-24)30(39)34-16-7-17-37-18-20-41-21-19-37/h1-3,6,8-12,15,23,28H,4-5,7,13-14,16-22H2,(H,34,39)(H,35,40)(H,36,38)/t28-/m1/s1
InChIKeyGXFAEQDYALHFOA-MUUNZHRXSA-N
MW557.70 g/mol
LogP2.84
Rot. Bonds11

About N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]quinoline-6-carboxamide

N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]quinoline-6-carboxamide (PubChem CID 23625786) has the molecular formula C32H39N5O4 and a molecular weight of 557.70 g/mol. Its IUPAC name is N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]quinoline-6-carboxamide
PubChem CID23625786
Molecular FormulaC32H39N5O4
Molecular Weight557.70 g/mol
Exact Mass557.30
IUPAC NameN-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]quinoline-6-carboxamide
SMILESO=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1ccc2ncccc2c1
InChIInChI=1S/C32H39N5O4/c38-29(26-11-12-27-25(23-26)10-6-15-33-27)36-32(13-4-5-14-32)31(40)35-28(22-24-8-2-1-3-9-24)30(39)34-16-7-17-37-18-20-41-21-19-37/h1-3,6,8-12,15,23,28H,4-5,7,13-14,16-22H2,(H,34,39)(H,35,40)(H,36,38)/t28-/m1/s1
InChIKeyGXFAEQDYALHFOA-MUUNZHRXSA-N
XLogP2.84
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.70
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]quinoline-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

Mgb-bp-3
CID 23730143
((2R,4S)-2-Benzyl-4-((quinolin-4-ylmethyl)amino)piperidin-1-yl)(3,5-dimethylphenyl)methanone
CID 9869033
N-(2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl)quinoline-3-carboxamide
CID 44138050
4-(cyclohexylamino)-N-quinolin-3-ylbenzamide
CID 44450288
N,N-diethyl-4-(1-piperazinyl(8-quinolinyl)methyl)benzamide
CID 9801260
[2-(3,5-dimethylphenyl)-3-[2-(4-pyridin-4-ylbutylamino)-ethyl]-1H-indol-5-yl]morpholin-4-ylmethanone
CID 9936150
N-[4-(4-phenylpiperazin-1-yl)butyl]quinoline-6-carboxamide
CID 24769156
[3,5-bis(trifluoromethyl)phenyl]-[(2R)-2-(1H-indol-3-ylmethyl)-4-[(2Z)-2-(2-morpholin-4-ylethoxyimino)ethyl]piperazin-1-yl]methanone
CID 44407971
N-[4-(4-quinolin-3-ylpiperazin-1-yl)butyl]benzamide
CID 57873499
N-[2-[(2S)-2-[2-(benzylamino)-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 156869976
methyl (2S)-2-[[2-[[2-oxo-2-[(2S)-1-[2-(quinoline-4-carbonylamino)acetyl]pyrrolidin-2-yl]acetyl]amino]acetyl]amino]-3-phenylpropanoate
CID 164609663
N-[2-oxo-2-[(2S)-2-[2-oxo-2-(2-phenylethylamino)acetyl]pyrrolidin-1-yl]ethyl]quinoline-4-carboxamide
CID 164620467

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]quinoline-6-carboxamide?
The IUPAC name of N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]quinoline-6-carboxamide (CID 23625786) is N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]quinoline-6-carboxamide?
The canonical SMILES for N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]quinoline-6-carboxamide is O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1ccc2ncccc2c1.
What is the InChIKey of N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]quinoline-6-carboxamide?
The InChIKey is GXFAEQDYALHFOA-MUUNZHRXSA-N. The full InChI is InChI=1S/C32H39N5O4/c38-29(26-11-12-27-25(23-26)10-6-15-33-27)36-32(13-4-5-14-32)31(40)35-28(22-24-8-2-1-3-9-24)30(39)34-16-7-17-37-18-20-41-21-19-37/h1-3,6,8-12,15,23,28H,4-5,7,13-14,16-22H2,(H,34,39)(H,35,40)(H,36,38)/t28-/m1/s1.
What are the key properties of N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]quinoline-6-carboxamide?
N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]quinoline-6-carboxamide has a molecular weight of 557.70 g/mol, XLogP of 2.84, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]quinoline-6-carboxamide is sourced from PubChem (CID 23625786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).