N-(2-methoxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide

C21H17N5O2 — CID 109269429

IUPACN-(2-methoxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc(Nc2cccc3cccnc23)nc1
InChIInChI=1S/C21H17N5O2/c1-28-18-10-3-2-8-16(18)25-20(27)15-12-23-21(24-13-15)26-17-9-4-6-14-7-5-11-22-19(14)17/h2-13H,1H3,(H,25,27)(H,23,24,26)
InChIKeyAHDARHMHSOBNPF-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.03
Rot. Bonds5

About N-(2-methoxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide

N-(2-methoxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide (PubChem CID 109269429) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
PubChem CID109269429
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC NameN-(2-methoxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc(Nc2cccc3cccnc23)nc1
InChIInChI=1S/C21H17N5O2/c1-28-18-10-3-2-8-16(18)25-20(27)15-12-23-21(24-13-15)26-17-9-4-6-14-7-5-11-22-19(14)17/h2-13H,1H3,(H,25,27)(H,23,24,26)
InChIKeyAHDARHMHSOBNPF-UHFFFAOYSA-N
XLogP4.03
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(2-methoxyphenyl)-5-N-quinolin-8-ylpyridine-3,5-dicarboxamide
CID 109108883
N-(2-methoxyphenyl)-5-(quinolin-8-ylamino)pyrazine-2-carboxamide
CID 109293403
N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109268108
N-(2,3-dimethylphenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109267159
N-(2-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109268603
5-(2-methoxyanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109199751
2-(2,5-dimethylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109266661
2-(4-acetylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109270127
2-(4-chloroanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268879
N-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18148000
2-(3-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269426
2-(3-methylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109265647

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide (CID 109269429) is N-(2-methoxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide is COc1ccccc1NC(=O)c1cnc(Nc2cccc3cccnc23)nc1.
What is the InChIKey of N-(2-methoxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide?
The InChIKey is AHDARHMHSOBNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-28-18-10-3-2-8-16(18)25-20(27)15-12-23-21(24-13-15)26-17-9-4-6-14-7-5-11-22-19(14)17/h2-13H,1H3,(H,25,27)(H,23,24,26).
What are the key properties of N-(2-methoxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide?
N-(2-methoxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109269429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).