N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

C25H35N3O4 — CID 70325462

IUPACN-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C25H35N3O4/c1-3-21-22(20(29)15-32-21)28-24(31)19(14-25(2)10-4-5-11-25)27-23(30)17-8-9-18-16(13-17)7-6-12-26-18/h8-9,13,19,21-22,26H,3-7,10-12,14-15H2,1-2H3,(H,27,30)(H,28,31)/t19-,21-,22+/m0/s1
InChIKeyCRPZQDSWQOKCQT-ILWGZMRPSA-N
MW441.57 g/mol
LogP2.98
Rot. Bonds7

About N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 70325462) has the molecular formula C25H35N3O4 and a molecular weight of 441.57 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID70325462
Molecular FormulaC25H35N3O4
Molecular Weight441.57 g/mol
Exact Mass441.26
IUPAC NameN-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C25H35N3O4/c1-3-21-22(20(29)15-32-21)28-24(31)19(14-25(2)10-4-5-11-25)27-23(30)17-8-9-18-16(13-17)7-6-12-26-18/h8-9,13,19,21-22,26H,3-7,10-12,14-15H2,1-2H3,(H,27,30)(H,28,31)/t19-,21-,22+/m0/s1
InChIKeyCRPZQDSWQOKCQT-ILWGZMRPSA-N
XLogP2.98
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide with MolForge

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Related Compounds

N-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-3-hydroxybenzamide
CID 143243394
3-amino-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-5-fluorobenzamide
CID 70326171
N-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclobutyl)-1-oxopropan-2-yl]-4-(propan-2-ylsulfanylamino)benzamide
CID 143243356
N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfonylamino]benzamide
CID 44571214
3-chloro-4-(methanesulfonamido)-N-[(2S)-3-(1-methylcyclopentyl)-1-[[(2S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]benzamide
CID 70325518
N-[(2S)-1-hydroxybutan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 93083207
N-[(1S)-1-cyclohexylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 81389029
4-hydroxy-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
CID 61244599
(2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 78967710
N-(6-methylheptan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61252678
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 107389176
(2R)-3-methyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
CID 79009724

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 70325462) is N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide is CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is CRPZQDSWQOKCQT-ILWGZMRPSA-N. The full InChI is InChI=1S/C25H35N3O4/c1-3-21-22(20(29)15-32-21)28-24(31)19(14-25(2)10-4-5-11-25)27-23(30)17-8-9-18-16(13-17)7-6-12-26-18/h8-9,13,19,21-22,26H,3-7,10-12,14-15H2,1-2H3,(H,27,30)(H,28,31)/t19-,21-,22+/m0/s1.
What are the key properties of N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 441.57 g/mol, XLogP of 2.98, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 70325462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).