2,5-dimethyl-N-[3-oxo-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]pyrazole-3-carboxamide

C18H21N5O3 — CID 171132852

IUPAC2,5-dimethyl-N-[3-oxo-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCC(=O)Nc2ccc3c(c2)CCC(=O)N3)n(C)n1
InChIInChI=1S/C18H21N5O3/c1-11-9-15(23(2)22-11)18(26)19-8-7-17(25)20-13-4-5-14-12(10-13)3-6-16(24)21-14/h4-5,9-10H,3,6-8H2,1-2H3,(H,19,26)(H,20,25)(H,21,24)
InChIKeyVOLLQTZAOPHGQI-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.37
Rot. Bonds5

About 2,5-dimethyl-N-[3-oxo-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]pyrazole-3-carboxamide

2,5-dimethyl-N-[3-oxo-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]pyrazole-3-carboxamide (PubChem CID 171132852) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-oxo-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-oxo-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]pyrazole-3-carboxamide
PubChem CID171132852
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name2,5-dimethyl-N-[3-oxo-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCC(=O)Nc2ccc3c(c2)CCC(=O)N3)n(C)n1
InChIInChI=1S/C18H21N5O3/c1-11-9-15(23(2)22-11)18(26)19-8-7-17(25)20-13-4-5-14-12(10-13)3-6-16(24)21-14/h4-5,9-10H,3,6-8H2,1-2H3,(H,19,26)(H,20,25)(H,21,24)
InChIKeyVOLLQTZAOPHGQI-UHFFFAOYSA-N
XLogP1.37
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-oxo-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[3-oxo-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]pyrazole-3-carboxamide (CID 171132852) is 2,5-dimethyl-N-[3-oxo-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[3-oxo-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[3-oxo-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NCCC(=O)Nc2ccc3c(c2)CCC(=O)N3)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[3-oxo-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]pyrazole-3-carboxamide?
The InChIKey is VOLLQTZAOPHGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-11-9-15(23(2)22-11)18(26)19-8-7-17(25)20-13-4-5-14-12(10-13)3-6-16(24)21-14/h4-5,9-10H,3,6-8H2,1-2H3,(H,19,26)(H,20,25)(H,21,24).
What are the key properties of 2,5-dimethyl-N-[3-oxo-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[3-oxo-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]pyrazole-3-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[3-oxo-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 171132852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).