2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide

C22H19N5O2 — CID 109317811

IUPAC2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1nccc(C(=O)Nc2cccc3cccnc23)n1
InChIInChI=1S/C22H19N5O2/c1-2-29-19-11-4-3-9-16(19)26-22-24-14-12-18(27-22)21(28)25-17-10-5-7-15-8-6-13-23-20(15)17/h3-14H,2H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyAWNYERJRZVVDQE-UHFFFAOYSA-N
MW385.43 g/mol
LogP4.42
Rot. Bonds6

About 2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide

2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide (PubChem CID 109317811) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
PubChem CID109317811
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1nccc(C(=O)Nc2cccc3cccnc23)n1
InChIInChI=1S/C22H19N5O2/c1-2-29-19-11-4-3-9-16(19)26-22-24-14-12-18(27-22)21(28)25-17-10-5-7-15-8-6-13-23-20(15)17/h3-14H,2H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyAWNYERJRZVVDQE-UHFFFAOYSA-N
XLogP4.42
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-propan-2-yloxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109317983
N-(2,6-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317819
2-(2-ethoxyanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313935
4-N-(2-ethoxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112904843
2-(2-ethoxyanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109317808
2-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109317827
N-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109316584
2-(4-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109314065
methyl 4-[[2-(2-ethoxyanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109317806
N-(2-ethoxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109129475
N-(2-ethoxyphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109316179
N-propan-2-yl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109295489

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide (CID 109317811) is 2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide is CCOc1ccccc1Nc1nccc(C(=O)Nc2cccc3cccnc23)n1.
What is the InChIKey of 2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The InChIKey is AWNYERJRZVVDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-2-29-19-11-4-3-9-16(19)26-22-24-14-12-18(27-22)21(28)25-17-10-5-7-15-8-6-13-23-20(15)17/h3-14H,2H2,1H3,(H,25,28)(H,24,26,27).
What are the key properties of 2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109317811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).