N-methyl-7-[[4-(1H-pyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide

C21H21N5O2 — CID 162671076

IUPACN-methyl-7-[[4-(1H-pyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4cn[nH]c4)cc3)cc21
InChIInChI=1S/C21H21N5O2/c1-22-21(28)26-10-2-3-15-8-9-18(11-19(15)26)25-20(27)16-6-4-14(5-7-16)17-12-23-24-13-17/h4-9,11-13H,2-3,10H2,1H3,(H,22,28)(H,23,24)(H,25,27)
InChIKeyKFLGFIKSYZCSFN-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.42
Rot. Bonds3

About N-methyl-7-[[4-(1H-pyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide

N-methyl-7-[[4-(1H-pyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 162671076) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-methyl-7-[[4-(1H-pyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-methyl-7-[[4-(1H-pyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID162671076
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-methyl-7-[[4-(1H-pyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4cn[nH]c4)cc3)cc21
InChIInChI=1S/C21H21N5O2/c1-22-21(28)26-10-2-3-15-8-9-18(11-19(15)26)25-20(27)16-6-4-14(5-7-16)17-12-23-24-13-17/h4-9,11-13H,2-3,10H2,1H3,(H,22,28)(H,23,24)(H,25,27)
InChIKeyKFLGFIKSYZCSFN-UHFFFAOYSA-N
XLogP3.42
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-7-[[4-(1H-pyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-methyl-7-[[4-(1H-pyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide (CID 162671076) is N-methyl-7-[[4-(1H-pyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-methyl-7-[[4-(1H-pyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-methyl-7-[[4-(1H-pyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide is CNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4cn[nH]c4)cc3)cc21.
What is the InChIKey of N-methyl-7-[[4-(1H-pyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is KFLGFIKSYZCSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-22-21(28)26-10-2-3-15-8-9-18(11-19(15)26)25-20(27)16-6-4-14(5-7-16)17-12-23-24-13-17/h4-9,11-13H,2-3,10H2,1H3,(H,22,28)(H,23,24)(H,25,27).
What are the key properties of N-methyl-7-[[4-(1H-pyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
N-methyl-7-[[4-(1H-pyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-[[4-(1H-pyrazol-4-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 162671076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).