2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide

C21H22N2O2 — CID 896971

IUPAC2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide
SMILESCOc1ccc(-c2nc3ccccc3c(C(=O)NC(C)C)c2C)cc1
InChIInChI=1S/C21H22N2O2/c1-13(2)22-21(24)19-14(3)20(15-9-11-16(25-4)12-10-15)23-18-8-6-5-7-17(18)19/h5-13H,1-4H3,(H,22,24)
InChIKeyXKRNGBRKSLBXDQ-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.36
Rot. Bonds4

About 2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide

2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide (PubChem CID 896971) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide
PubChem CID896971
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide
SMILESCOc1ccc(-c2nc3ccccc3c(C(=O)NC(C)C)c2C)cc1
InChIInChI=1S/C21H22N2O2/c1-13(2)22-21(24)19-14(3)20(15-9-11-16(25-4)12-10-15)23-18-8-6-5-7-17(18)19/h5-13H,1-4H3,(H,22,24)
InChIKeyXKRNGBRKSLBXDQ-UHFFFAOYSA-N
XLogP4.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-3-methyl-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4115326
2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide
CID 5197457
N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 3681950
2-(4-methoxyphenyl)-3-methyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 3308982
2-(4-methoxyphenyl)-3-methyl-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4185870
N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 1291424
N-(2-chloro-3-pyridinyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4189374
N,N-diethyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4199357
2,3-bis(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 95560580
N,N-dicyclohexyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 3348119
N-(4-butylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4608973
2-(4-methoxyphenyl)-3-methyl-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 3479572

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide (CID 896971) is 2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide is COc1ccc(-c2nc3ccccc3c(C(=O)NC(C)C)c2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide?
The InChIKey is XKRNGBRKSLBXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-13(2)22-21(24)19-14(3)20(15-9-11-16(25-4)12-10-15)23-18-8-6-5-7-17(18)19/h5-13H,1-4H3,(H,22,24).
What are the key properties of 2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide?
2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 896971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).