(5S)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C17H23N3O3 — CID 52549509

IUPAC(5S)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESNC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)C1CCCCC1
InChIInChI=1S/C17H23N3O3/c18-15(21)12-9-11-13(7-4-8-14(11)20-17(12)23)19-16(22)10-5-2-1-3-6-10/h9-10,13H,1-8H2,(H2,18,21)(H,19,22)(H,20,23)/t13-/m0/s1
InChIKeyXHNQHEFJCWDNGN-ZDUSSCGKSA-N
MW317.39 g/mol
LogP1.55
Rot. Bonds3

About (5S)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

(5S)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 52549509) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (5S)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name(5S)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID52549509
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(5S)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESNC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)C1CCCCC1
InChIInChI=1S/C17H23N3O3/c18-15(21)12-9-11-13(7-4-8-14(11)20-17(12)23)19-16(22)10-5-2-1-3-6-10/h9-10,13H,1-8H2,(H2,18,21)(H,19,22)(H,20,23)/t13-/m0/s1
InChIKeyXHNQHEFJCWDNGN-ZDUSSCGKSA-N
XLogP1.55
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of (5S)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 52549509) is (5S)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for (5S)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for (5S)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)C1CCCCC1.
What is the InChIKey of (5S)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is XHNQHEFJCWDNGN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N3O3/c18-15(21)12-9-11-13(7-4-8-14(11)20-17(12)23)19-16(22)10-5-2-1-3-6-10/h9-10,13H,1-8H2,(H2,18,21)(H,19,22)(H,20,23)/t13-/m0/s1.
What are the key properties of (5S)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
(5S)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 52549509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).