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

C22H23N5O2 — CID 162646040

IUPACN-methyl-7-[[4-(1-methylpyrazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4ccn(C)n4)cc3)cc21
InChIInChI=1S/C22H23N5O2/c1-23-22(29)27-12-3-4-16-9-10-18(14-20(16)27)24-21(28)17-7-5-15(6-8-17)19-11-13-26(2)25-19/h5-11,13-14H,3-4,12H2,1-2H3,(H,23,29)(H,24,28)
InChIKeyPSNUIKMCODLIKE-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.43
Rot. Bonds3

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

N-methyl-7-[[4-(1-methylpyrazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 162646040) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-methyl-7-[[4-(1-methylpyrazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-methyl-7-[[4-(1-methylpyrazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID162646040
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-methyl-7-[[4-(1-methylpyrazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4ccn(C)n4)cc3)cc21
InChIInChI=1S/C22H23N5O2/c1-23-22(29)27-12-3-4-16-9-10-18(14-20(16)27)24-21(28)17-7-5-15(6-8-17)19-11-13-26(2)25-19/h5-11,13-14H,3-4,12H2,1-2H3,(H,23,29)(H,24,28)
InChIKeyPSNUIKMCODLIKE-UHFFFAOYSA-N
XLogP3.43
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-7-[[4-(1-methylpyrazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-methyl-7-[[4-(1-methylpyrazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide (CID 162646040) is N-methyl-7-[[4-(1-methylpyrazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-methyl-7-[[4-(1-methylpyrazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-methyl-7-[[4-(1-methylpyrazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide is CNC(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4ccn(C)n4)cc3)cc21.
What is the InChIKey of N-methyl-7-[[4-(1-methylpyrazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is PSNUIKMCODLIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-23-22(29)27-12-3-4-16-9-10-18(14-20(16)27)24-21(28)17-7-5-15(6-8-17)19-11-13-26(2)25-19/h5-11,13-14H,3-4,12H2,1-2H3,(H,23,29)(H,24,28).
What are the key properties of N-methyl-7-[[4-(1-methylpyrazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
N-methyl-7-[[4-(1-methylpyrazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-[[4-(1-methylpyrazol-3-yl)benzoyl]amino]-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 162646040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).