2-methyl-6-(prop-2-enylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide

C18H17N5O — CID 109361326

IUPAC2-methyl-6-(prop-2-enylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESC=CCNc1cc(C(=O)Nc2cccc3cccnc23)nc(C)n1
InChIInChI=1S/C18H17N5O/c1-3-9-19-16-11-15(21-12(2)22-16)18(24)23-14-8-4-6-13-7-5-10-20-17(13)14/h3-8,10-11H,1,9H2,2H3,(H,23,24)(H,19,21,22)
InChIKeyNTNQYZCAHTZLDM-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.18
Rot. Bonds5

About 2-methyl-6-(prop-2-enylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide

2-methyl-6-(prop-2-enylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide (PubChem CID 109361326) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-methyl-6-(prop-2-enylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-(prop-2-enylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
PubChem CID109361326
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name2-methyl-6-(prop-2-enylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESC=CCNc1cc(C(=O)Nc2cccc3cccnc23)nc(C)n1
InChIInChI=1S/C18H17N5O/c1-3-9-19-16-11-15(21-12(2)22-16)18(24)23-14-8-4-6-13-7-5-10-20-17(13)14/h3-8,10-11H,1,9H2,2H3,(H,23,24)(H,19,21,22)
InChIKeyNTNQYZCAHTZLDM-UHFFFAOYSA-N
XLogP3.18
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-(pyridin-4-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109371305
2-methyl-6-(pentylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112846784
6-[(2-methoxyphenyl)methylamino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109370264
2-methyl-6-(3-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112848249
6-(cycloheptylamino)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109373956
N-(2,5-dimethylphenyl)-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361253
2-methyl-N-(4-methylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361248
N-(4-ethoxyphenyl)-2-methyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 112850661
2-methyl-6-pyrrolidin-1-yl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109362855
N-(4-tert-butylphenyl)-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361268
2-methyl-6-piperidin-1-yl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109363589
6-[butyl(methyl)amino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112846997

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(prop-2-enylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-(prop-2-enylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide (CID 109361326) is 2-methyl-6-(prop-2-enylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-(prop-2-enylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-(prop-2-enylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide is C=CCNc1cc(C(=O)Nc2cccc3cccnc23)nc(C)n1.
What is the InChIKey of 2-methyl-6-(prop-2-enylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
The InChIKey is NTNQYZCAHTZLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-3-9-19-16-11-15(21-12(2)22-16)18(24)23-14-8-4-6-13-7-5-10-20-17(13)14/h3-8,10-11H,1,9H2,2H3,(H,23,24)(H,19,21,22).
What are the key properties of 2-methyl-6-(prop-2-enylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide?
2-methyl-6-(prop-2-enylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(prop-2-enylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109361326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).