3-[5-amino-4-(1-methyl-3,4-dihydro-2H-quinoline-7-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide

C25H27N5O2 — CID 142313318

IUPAC3-[5-amino-4-(1-methyl-3,4-dihydro-2H-quinoline-7-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2ccc3c(c2)N(C)CCC3)c1N
InChIInChI=1S/C25H27N5O2/c1-15-5-6-18(25(32)28-19-9-10-19)13-21(15)30-24(26)20(14-27-30)23(31)17-8-7-16-4-3-11-29(2)22(16)12-17/h5-8,12-14,19H,3-4,9-11,26H2,1-2H3,(H,28,32)
InChIKeyGWJCFGUYVBTSBV-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.27
Rot. Bonds5

About 3-[5-amino-4-(1-methyl-3,4-dihydro-2H-quinoline-7-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide

3-[5-amino-4-(1-methyl-3,4-dihydro-2H-quinoline-7-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 142313318) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 3-[5-amino-4-(1-methyl-3,4-dihydro-2H-quinoline-7-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[5-amino-4-(1-methyl-3,4-dihydro-2H-quinoline-7-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
PubChem CID142313318
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name3-[5-amino-4-(1-methyl-3,4-dihydro-2H-quinoline-7-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2ccc3c(c2)N(C)CCC3)c1N
InChIInChI=1S/C25H27N5O2/c1-15-5-6-18(25(32)28-19-9-10-19)13-21(15)30-24(26)20(14-27-30)23(31)17-8-7-16-4-3-11-29(2)22(16)12-17/h5-8,12-14,19H,3-4,9-11,26H2,1-2H3,(H,28,32)
InChIKeyGWJCFGUYVBTSBV-UHFFFAOYSA-N
XLogP3.27
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-4-(1-methyl-3,4-dihydro-2H-quinoline-7-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[5-amino-4-(1-methyl-3,4-dihydro-2H-quinoline-7-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide (CID 142313318) is 3-[5-amino-4-(1-methyl-3,4-dihydro-2H-quinoline-7-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[5-amino-4-(1-methyl-3,4-dihydro-2H-quinoline-7-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[5-amino-4-(1-methyl-3,4-dihydro-2H-quinoline-7-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2ccc3c(c2)N(C)CCC3)c1N.
What is the InChIKey of 3-[5-amino-4-(1-methyl-3,4-dihydro-2H-quinoline-7-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is GWJCFGUYVBTSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-15-5-6-18(25(32)28-19-9-10-19)13-21(15)30-24(26)20(14-27-30)23(31)17-8-7-16-4-3-11-29(2)22(16)12-17/h5-8,12-14,19H,3-4,9-11,26H2,1-2H3,(H,28,32).
What are the key properties of 3-[5-amino-4-(1-methyl-3,4-dihydro-2H-quinoline-7-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
3-[5-amino-4-(1-methyl-3,4-dihydro-2H-quinoline-7-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 429.52 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-4-(1-methyl-3,4-dihydro-2H-quinoline-7-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 142313318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).