2-methyl-6-(3-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide

C22H19N5O — CID 112848249

IUPAC2-methyl-6-(3-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCc1cccc(Nc2cc(C(=O)Nc3cccc4cccnc34)nc(C)n2)c1
InChIInChI=1S/C22H19N5O/c1-14-6-3-9-17(12-14)26-20-13-19(24-15(2)25-20)22(28)27-18-10-4-7-16-8-5-11-23-21(16)18/h3-13H,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyDMMRYJPGCGHQCP-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.64
Rot. Bonds4

About 2-methyl-6-(3-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide

2-methyl-6-(3-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide (PubChem CID 112848249) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-methyl-6-(3-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-(3-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
PubChem CID112848249
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name2-methyl-6-(3-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCc1cccc(Nc2cc(C(=O)Nc3cccc4cccnc34)nc(C)n2)c1
InChIInChI=1S/C22H19N5O/c1-14-6-3-9-17(12-14)26-20-13-19(24-15(2)25-20)22(28)27-18-10-4-7-16-8-5-11-23-21(16)18/h3-13H,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyDMMRYJPGCGHQCP-UHFFFAOYSA-N
XLogP4.64
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 112848255
6-(cycloheptylamino)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109373956
2-(3-methylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109265647
2-methyl-6-(prop-2-enylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109361326
N-(4-ethoxyphenyl)-2-methyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 112850661
2-N-(3-methylphenyl)-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109091249
2-methyl-6-(pyridin-4-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109371305
2-methyl-6-(pentylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112846784
2-methyl-6-pyrrolidin-1-yl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109362855
2-methyl-6-(3-methylanilino)pyrimidine-4-carboxylic acid
CID 82293662
2-methyl-N-(3-methylphenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 112848302
2-methyl-6-piperidin-1-yl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109363589

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-(3-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide (CID 112848249) is 2-methyl-6-(3-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-(3-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-(3-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide is Cc1cccc(Nc2cc(C(=O)Nc3cccc4cccnc34)nc(C)n2)c1.
What is the InChIKey of 2-methyl-6-(3-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The InChIKey is DMMRYJPGCGHQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-14-6-3-9-17(12-14)26-20-13-19(24-15(2)25-20)22(28)27-18-10-4-7-16-8-5-11-23-21(16)18/h3-13H,1-2H3,(H,27,28)(H,24,25,26).
What are the key properties of 2-methyl-6-(3-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
2-methyl-6-(3-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 112848249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).