N-[(2S)-5-amino-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide

C21H28N8O3 — CID 163504552

IUPACN-[(2S)-5-amino-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide
SMILESNCCC[C@H](NC(=O)c1ccc2c(c1)NC(=O)CC2)C(=O)N[C@H]1CCC[C@H]1c1nn[nH]n1
InChIInChI=1S/C21H28N8O3/c22-10-2-5-16(21(32)24-15-4-1-3-14(15)19-26-28-29-27-19)25-20(31)13-7-6-12-8-9-18(30)23-17(12)11-13/h6-7,11,14-16H,1-5,8-10,22H2,(H,23,30)(H,24,32)(H,25,31)(H,26,27,28,29)/t14-,15+,16+/m1/s1
InChIKeyCXMSJJBAUIAQPN-PMPSAXMXSA-N
MW440.51 g/mol
LogP0.37
Rot. Bonds8

About N-[(2S)-5-amino-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide

N-[(2S)-5-amino-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide (PubChem CID 163504552) has the molecular formula C21H28N8O3 and a molecular weight of 440.51 g/mol. Its IUPAC name is N-[(2S)-5-amino-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide.

Molecular Properties

Compound NameN-[(2S)-5-amino-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide
PubChem CID163504552
Molecular FormulaC21H28N8O3
Molecular Weight440.51 g/mol
Exact Mass440.23
IUPAC NameN-[(2S)-5-amino-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide
SMILESNCCC[C@H](NC(=O)c1ccc2c(c1)NC(=O)CC2)C(=O)N[C@H]1CCC[C@H]1c1nn[nH]n1
InChIInChI=1S/C21H28N8O3/c22-10-2-5-16(21(32)24-15-4-1-3-14(15)19-26-28-29-27-19)25-20(31)13-7-6-12-8-9-18(30)23-17(12)11-13/h6-7,11,14-16H,1-5,8-10,22H2,(H,23,30)(H,24,32)(H,25,31)(H,26,27,28,29)/t14-,15+,16+/m1/s1
InChIKeyCXMSJJBAUIAQPN-PMPSAXMXSA-N
XLogP0.37
TPSA167.78 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 50.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-5-amino-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-amino-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide?
The IUPAC name of N-[(2S)-5-amino-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide (CID 163504552) is N-[(2S)-5-amino-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide.
What is the SMILES notation for N-[(2S)-5-amino-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide?
The canonical SMILES for N-[(2S)-5-amino-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide is NCCC[C@H](NC(=O)c1ccc2c(c1)NC(=O)CC2)C(=O)N[C@H]1CCC[C@H]1c1nn[nH]n1.
What is the InChIKey of N-[(2S)-5-amino-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide?
The InChIKey is CXMSJJBAUIAQPN-PMPSAXMXSA-N. The full InChI is InChI=1S/C21H28N8O3/c22-10-2-5-16(21(32)24-15-4-1-3-14(15)19-26-28-29-27-19)25-20(31)13-7-6-12-8-9-18(30)23-17(12)11-13/h6-7,11,14-16H,1-5,8-10,22H2,(H,23,30)(H,24,32)(H,25,31)(H,26,27,28,29)/t14-,15+,16+/m1/s1.
What are the key properties of N-[(2S)-5-amino-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide?
N-[(2S)-5-amino-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 0.37, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-amino-1-oxo-1-[[(1S,2R)-2-(2H-tetrazol-5-yl)cyclopentyl]amino]pentan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide is sourced from PubChem (CID 163504552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).