2-phenyl-6-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide

C23H21N5O — CID 112851568

IUPAC2-phenyl-6-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCC(C)Nc1cc(C(=O)Nc2cccc3cccnc23)nc(-c2ccccc2)n1
InChIInChI=1S/C23H21N5O/c1-15(2)25-20-14-19(26-22(28-20)17-8-4-3-5-9-17)23(29)27-18-12-6-10-16-11-7-13-24-21(16)18/h3-15H,1-2H3,(H,27,29)(H,25,26,28)
InChIKeyAZZBQAIZNVUVEK-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.76
Rot. Bonds5

About 2-phenyl-6-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide

2-phenyl-6-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide (PubChem CID 112851568) has the molecular formula C23H21N5O and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-phenyl-6-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-6-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
PubChem CID112851568
Molecular FormulaC23H21N5O
Molecular Weight383.45 g/mol
Exact Mass383.17
IUPAC Name2-phenyl-6-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCC(C)Nc1cc(C(=O)Nc2cccc3cccnc23)nc(-c2ccccc2)n1
InChIInChI=1S/C23H21N5O/c1-15(2)25-20-14-19(26-22(28-20)17-8-4-3-5-9-17)23(29)27-18-12-6-10-16-11-7-13-24-21(16)18/h3-15H,1-2H3,(H,27,29)(H,25,26,28)
InChIKeyAZZBQAIZNVUVEK-UHFFFAOYSA-N
XLogP4.76
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-N-propan-2-yl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 112851683
6-(butylamino)-2-phenyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112852272
6-methyl-2-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109319423
5-propan-2-yl-N-quinolin-8-yl-1,2-oxazole-3-carboxamide
CID 75538115
6-(cycloheptylamino)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109373956
5-propan-2-yl-N-quinolin-8-yl-1H-pyrazole-3-carboxamide
CID 110863444
6-(1,3-dihydroxypropan-2-ylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 66867745
4-N-benzyl-2-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109085380
6-(propan-2-ylamino)-2-pyridin-2-ylpyrimidine-4-carboxylic acid
CID 82169893
2-(4-chlorophenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxylic acid
CID 82169881
2-methyl-6-(3-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112848249
5-N-(1-phenylethyl)-3-N-quinolin-8-ylpyridine-3,5-dicarboxamide
CID 109105406

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-phenyl-6-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide (CID 112851568) is 2-phenyl-6-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-phenyl-6-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-phenyl-6-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide is CC(C)Nc1cc(C(=O)Nc2cccc3cccnc23)nc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-6-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The InChIKey is AZZBQAIZNVUVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-15(2)25-20-14-19(26-22(28-20)17-8-4-3-5-9-17)23(29)27-18-12-6-10-16-11-7-13-24-21(16)18/h3-15H,1-2H3,(H,27,29)(H,25,26,28).
What are the key properties of 2-phenyl-6-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
2-phenyl-6-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 112851568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).