2-(3-methylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide

C21H17N5O — CID 109265647

IUPAC2-(3-methylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
SMILESCc1cccc(Nc2ncc(C(=O)Nc3cccc4cccnc34)cn2)c1
InChIInChI=1S/C21H17N5O/c1-14-5-2-8-17(11-14)25-21-23-12-16(13-24-21)20(27)26-18-9-3-6-15-7-4-10-22-19(15)18/h2-13H,1H3,(H,26,27)(H,23,24,25)
InChIKeyJEXXZHXTXCBBOX-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.33
Rot. Bonds4

About 2-(3-methylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide

2-(3-methylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide (PubChem CID 109265647) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-(3-methylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-methylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
PubChem CID109265647
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name2-(3-methylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
SMILESCc1cccc(Nc2ncc(C(=O)Nc3cccc4cccnc34)cn2)c1
InChIInChI=1S/C21H17N5O/c1-14-5-2-8-17(11-14)25-21-23-12-16(13-24-21)20(27)26-18-9-3-6-15-7-4-10-22-19(15)18/h2-13H,1H3,(H,26,27)(H,23,24,25)
InChIKeyJEXXZHXTXCBBOX-UHFFFAOYSA-N
XLogP4.33
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109266661
2-(4-acetylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109270127
2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476
2-(4-propan-2-ylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109267991
N-(3-chloro-2-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265600
2-N-(3-methylphenyl)-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109091249
2-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109256323
2-methyl-6-(3-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112848249
N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109269168
N-(3-bromophenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265641
2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265544
N-(3-methylphenyl)-3-[(E)-3-oxo-3-(quinolin-8-ylamino)prop-1-enyl]benzamide
CID 159458220

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-(3-methylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide (CID 109265647) is 2-(3-methylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-methylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-methylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide is Cc1cccc(Nc2ncc(C(=O)Nc3cccc4cccnc34)cn2)c1.
What is the InChIKey of 2-(3-methylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide?
The InChIKey is JEXXZHXTXCBBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c1-14-5-2-8-17(11-14)25-21-23-12-16(13-24-21)20(27)26-18-9-3-6-15-7-4-10-22-19(15)18/h2-13H,1H3,(H,26,27)(H,23,24,25).
What are the key properties of 2-(3-methylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide?
2-(3-methylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 109265647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).