N-[2-methyl-1-(1-methyl-3-propylpyrazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

C26H30N4O2 — CID 10455380

IUPACN-[2-methyl-1-(1-methyl-3-propylpyrazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCCCc1cc(C(=O)N2c3ccccc3C(N(C(C)=O)c3ccccc3)CC2C)n(C)n1
InChIInChI=1S/C26H30N4O2/c1-5-11-20-17-25(28(4)27-20)26(32)29-18(2)16-24(22-14-9-10-15-23(22)29)30(19(3)31)21-12-7-6-8-13-21/h6-10,12-15,17-18,24H,5,11,16H2,1-4H3
InChIKeyNOEXMIIBXPMOSZ-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.91
Rot. Bonds5

About N-[2-methyl-1-(1-methyl-3-propylpyrazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

N-[2-methyl-1-(1-methyl-3-propylpyrazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (PubChem CID 10455380) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[2-methyl-1-(1-methyl-3-propylpyrazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[2-methyl-1-(1-methyl-3-propylpyrazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
PubChem CID10455380
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-[2-methyl-1-(1-methyl-3-propylpyrazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCCCc1cc(C(=O)N2c3ccccc3C(N(C(C)=O)c3ccccc3)CC2C)n(C)n1
InChIInChI=1S/C26H30N4O2/c1-5-11-20-17-25(28(4)27-20)26(32)29-18(2)16-24(22-14-9-10-15-23(22)29)30(19(3)31)21-12-7-6-8-13-21/h6-10,12-15,17-18,24H,5,11,16H2,1-4H3
InChIKeyNOEXMIIBXPMOSZ-UHFFFAOYSA-N
XLogP4.91
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(1-methyl-3-propylpyrazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The IUPAC name of N-[2-methyl-1-(1-methyl-3-propylpyrazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (CID 10455380) is N-[2-methyl-1-(1-methyl-3-propylpyrazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-[2-methyl-1-(1-methyl-3-propylpyrazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The canonical SMILES for N-[2-methyl-1-(1-methyl-3-propylpyrazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is CCCc1cc(C(=O)N2c3ccccc3C(N(C(C)=O)c3ccccc3)CC2C)n(C)n1.
What is the InChIKey of N-[2-methyl-1-(1-methyl-3-propylpyrazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The InChIKey is NOEXMIIBXPMOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-5-11-20-17-25(28(4)27-20)26(32)29-18(2)16-24(22-14-9-10-15-23(22)29)30(19(3)31)21-12-7-6-8-13-21/h6-10,12-15,17-18,24H,5,11,16H2,1-4H3.
What are the key properties of N-[2-methyl-1-(1-methyl-3-propylpyrazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
N-[2-methyl-1-(1-methyl-3-propylpyrazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide has a molecular weight of 430.55 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(1-methyl-3-propylpyrazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 10455380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).