N-(3,4-difluorophenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide

C20H13F2N5O — CID 109270508

IUPACN-(3,4-difluorophenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cnc(Nc2cccc3cccnc23)nc1
InChIInChI=1S/C20H13F2N5O/c21-15-7-6-14(9-16(15)22)26-19(28)13-10-24-20(25-11-13)27-17-5-1-3-12-4-2-8-23-18(12)17/h1-11H,(H,26,28)(H,24,25,27)
InChIKeyHQXBULZWRQUZJR-UHFFFAOYSA-N
MW377.35 g/mol
LogP4.30
Rot. Bonds4

About N-(3,4-difluorophenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide

N-(3,4-difluorophenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide (PubChem CID 109270508) has the molecular formula C20H13F2N5O and a molecular weight of 377.35 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
PubChem CID109270508
Molecular FormulaC20H13F2N5O
Molecular Weight377.35 g/mol
Exact Mass377.11
IUPAC NameN-(3,4-difluorophenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cnc(Nc2cccc3cccnc23)nc1
InChIInChI=1S/C20H13F2N5O/c21-15-7-6-14(9-16(15)22)26-19(28)13-10-24-20(25-11-13)27-17-5-1-3-12-4-2-8-23-18(12)17/h1-11H,(H,26,28)(H,24,25,27)
InChIKeyHQXBULZWRQUZJR-UHFFFAOYSA-N
XLogP4.30
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109269168
2-(2,6-difluoroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109270748
N-(3,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109269495
2-(4-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268923
2-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268814
2-(4-acetylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109270127
N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109268108
N-(3,4-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109269742
2-(3-methylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109265647
N-(2-methoxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109269429
3,4-difluoro-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]benzamide
CID 113050395
N-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266524

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide (CID 109270508) is N-(3,4-difluorophenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cnc(Nc2cccc3cccnc23)nc1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide?
The InChIKey is HQXBULZWRQUZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N5O/c21-15-7-6-14(9-16(15)22)26-19(28)13-10-24-20(25-11-13)27-17-5-1-3-12-4-2-8-23-18(12)17/h1-11H,(H,26,28)(H,24,25,27).
What are the key properties of N-(3,4-difluorophenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide?
N-(3,4-difluorophenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide has a molecular weight of 377.35 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109270508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).