2-(4-propan-2-ylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide

C23H21N5O — CID 109267991

IUPAC2-(4-propan-2-ylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
SMILESCC(C)c1ccc(Nc2ncc(C(=O)Nc3cccc4cccnc34)cn2)cc1
InChIInChI=1S/C23H21N5O/c1-15(2)16-8-10-19(11-9-16)27-23-25-13-18(14-26-23)22(29)28-20-7-3-5-17-6-4-12-24-21(17)20/h3-15H,1-2H3,(H,28,29)(H,25,26,27)
InChIKeyNSJYEYXYZPIOLH-UHFFFAOYSA-N
MW383.46 g/mol
LogP5.14
Rot. Bonds5

About 2-(4-propan-2-ylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide

2-(4-propan-2-ylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide (PubChem CID 109267991) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 2-(4-propan-2-ylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-propan-2-ylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
PubChem CID109267991
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name2-(4-propan-2-ylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
SMILESCC(C)c1ccc(Nc2ncc(C(=O)Nc3cccc4cccnc34)cn2)cc1
InChIInChI=1S/C23H21N5O/c1-15(2)16-8-10-19(11-9-16)27-23-25-13-18(14-26-23)22(29)28-20-7-3-5-17-6-4-12-24-21(17)20/h3-15H,1-2H3,(H,28,29)(H,25,26,27)
InChIKeyNSJYEYXYZPIOLH-UHFFFAOYSA-N
XLogP5.14
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.46
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109270127
2-(3-methylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109265647
N-(3-chloro-2-methylphenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109267962
N-(2-cyanophenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109267994
2-(2,5-dimethylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109266661
N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109269168
N-(2-methoxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109269429
6-(4-propan-2-yloxyanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109164287
N-(3,4-difluorophenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109270508
2-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109256323
N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109268108
N-(3-methylbutyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109263486

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-(4-propan-2-ylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide (CID 109267991) is 2-(4-propan-2-ylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-propan-2-ylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-propan-2-ylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide is CC(C)c1ccc(Nc2ncc(C(=O)Nc3cccc4cccnc34)cn2)cc1.
What is the InChIKey of 2-(4-propan-2-ylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide?
The InChIKey is NSJYEYXYZPIOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-15(2)16-8-10-19(11-9-16)27-23-25-13-18(14-26-23)22(29)28-20-7-3-5-17-6-4-12-24-21(17)20/h3-15H,1-2H3,(H,28,29)(H,25,26,27).
What are the key properties of 2-(4-propan-2-ylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide?
2-(4-propan-2-ylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 109267991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).