1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide

C21H28N4O2 — CID 16598451

IUPAC1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESCC(C)NC(=O)c1cccc2c1CCCN2CC(=O)NC1(C#N)CCCC1
InChIInChI=1S/C21H28N4O2/c1-15(2)23-20(27)17-7-5-9-18-16(17)8-6-12-25(18)13-19(26)24-21(14-22)10-3-4-11-21/h5,7,9,15H,3-4,6,8,10-13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyLQPGPONEMWPOHT-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.53
Rot. Bonds5

About 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide

1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide (PubChem CID 16598451) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide.

Molecular Properties

Compound Name1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
PubChem CID16598451
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESCC(C)NC(=O)c1cccc2c1CCCN2CC(=O)NC1(C#N)CCCC1
InChIInChI=1S/C21H28N4O2/c1-15(2)23-20(27)17-7-5-9-18-16(17)8-6-12-25(18)13-19(26)24-21(14-22)10-3-4-11-21/h5,7,9,15H,3-4,6,8,10-13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyLQPGPONEMWPOHT-UHFFFAOYSA-N
XLogP2.53
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?
The IUPAC name of 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide (CID 16598451) is 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide.
What is the SMILES notation for 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?
The canonical SMILES for 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide is CC(C)NC(=O)c1cccc2c1CCCN2CC(=O)NC1(C#N)CCCC1.
What is the InChIKey of 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?
The InChIKey is LQPGPONEMWPOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15(2)23-20(27)17-7-5-9-18-16(17)8-6-12-25(18)13-19(26)24-21(14-22)10-3-4-11-21/h5,7,9,15H,3-4,6,8,10-13H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?
1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide is sourced from PubChem (CID 16598451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).