4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-N-propyl-1,4-diazepane-1-carboxamide

C19H26N4O3 — CID 110813513

IUPAC4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-N-propyl-1,4-diazepane-1-carboxamide
SMILESCCCNC(=O)N1CCCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C19H26N4O3/c1-2-8-20-19(26)23-10-3-9-22(11-12-23)18(25)15-4-6-16-14(13-15)5-7-17(24)21-16/h4,6,13H,2-3,5,7-12H2,1H3,(H,20,26)(H,21,24)
InChIKeyQGTUQMNEDSOCRZ-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.84
Rot. Bonds3

About 4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-N-propyl-1,4-diazepane-1-carboxamide

4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-N-propyl-1,4-diazepane-1-carboxamide (PubChem CID 110813513) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-N-propyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-N-propyl-1,4-diazepane-1-carboxamide
PubChem CID110813513
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-N-propyl-1,4-diazepane-1-carboxamide
SMILESCCCNC(=O)N1CCCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C19H26N4O3/c1-2-8-20-19(26)23-10-3-9-22(11-12-23)18(25)15-4-6-16-14(13-15)5-7-17(24)21-16/h4,6,13H,2-3,5,7-12H2,1H3,(H,20,26)(H,21,24)
InChIKeyQGTUQMNEDSOCRZ-UHFFFAOYSA-N
XLogP1.84
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-N-propyl-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-N-propyl-1,4-diazepane-1-carboxamide (CID 110813513) is 4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-N-propyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-N-propyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-N-propyl-1,4-diazepane-1-carboxamide is CCCNC(=O)N1CCCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1.
What is the InChIKey of 4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-N-propyl-1,4-diazepane-1-carboxamide?
The InChIKey is QGTUQMNEDSOCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-2-8-20-19(26)23-10-3-9-22(11-12-23)18(25)15-4-6-16-14(13-15)5-7-17(24)21-16/h4,6,13H,2-3,5,7-12H2,1H3,(H,20,26)(H,21,24).
What are the key properties of 4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-N-propyl-1,4-diazepane-1-carboxamide?
4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-N-propyl-1,4-diazepane-1-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-N-propyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 110813513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).