N-(4-ethoxyphenyl)-2-methyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide

C23H21N5O2 — CID 112850661

IUPACN-(4-ethoxyphenyl)-2-methyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(Nc3cccc4cccnc34)nc(C)n2)cc1
InChIInChI=1S/C23H21N5O2/c1-3-30-18-11-9-17(10-12-18)27-23(29)20-14-21(26-15(2)25-20)28-19-8-4-6-16-7-5-13-24-22(16)19/h4-14H,3H2,1-2H3,(H,27,29)(H,25,26,28)
InChIKeyCNJICULXOMZONT-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.73
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-methyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide

N-(4-ethoxyphenyl)-2-methyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide (PubChem CID 112850661) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-methyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-methyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
PubChem CID112850661
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN-(4-ethoxyphenyl)-2-methyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(Nc3cccc4cccnc34)nc(C)n2)cc1
InChIInChI=1S/C23H21N5O2/c1-3-30-18-11-9-17(10-12-18)27-23(29)20-14-21(26-15(2)25-20)28-19-8-4-6-16-7-5-13-24-22(16)19/h4-14H,3H2,1-2H3,(H,27,29)(H,25,26,28)
InChIKeyCNJICULXOMZONT-UHFFFAOYSA-N
XLogP4.73
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-chloroanilino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850131
2-methyl-6-(3-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112848249
N-(3,5-dimethylphenyl)-6-(4-ethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112849126
2-methyl-6-(prop-2-enylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109361326
2-(4-ethoxyanilino)-N-quinolin-8-ylacetamide
CID 109009200
2-methyl-6-(pentylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112846784
quinolin-8-yl N-(4-ethoxyphenyl)carbamate
CID 3434150
6-N-(4-ethylphenyl)-2-methyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112877598
2-methyl-6-(pyridin-4-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109371305
N-(4-propan-2-ylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109357666
6-(cycloheptylamino)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109373956
N,2-dimethyl-N-(2-pyridin-4-ylethyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109372367

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-methyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-methyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide (CID 112850661) is N-(4-ethoxyphenyl)-2-methyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-methyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-methyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide is CCOc1ccc(NC(=O)c2cc(Nc3cccc4cccnc34)nc(C)n2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-methyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The InChIKey is CNJICULXOMZONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-3-30-18-11-9-17(10-12-18)27-23(29)20-14-21(26-15(2)25-20)28-19-8-4-6-16-7-5-13-24-22(16)19/h4-14H,3H2,1-2H3,(H,27,29)(H,25,26,28).
What are the key properties of N-(4-ethoxyphenyl)-2-methyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
N-(4-ethoxyphenyl)-2-methyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-methyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112850661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).