4-amino-8-(5-cyano-2-methylpyrimidin-4-yl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide

C19H18N6O2 — CID 163255107

IUPAC4-amino-8-(5-cyano-2-methylpyrimidin-4-yl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide
SMILESCCCNC(=O)c1c(N)c2cccc(-c3nc(C)ncc3C#N)c2[nH]c1=O
InChIInChI=1S/C19H18N6O2/c1-3-7-22-18(26)14-15(21)12-5-4-6-13(17(12)25-19(14)27)16-11(8-20)9-23-10(2)24-16/h4-6,9H,3,7H2,1-2H3,(H,22,26)(H3,21,25,27)
InChIKeySUHDLYFZQHBJBE-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.89
Rot. Bonds4

About 4-amino-8-(5-cyano-2-methylpyrimidin-4-yl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide

4-amino-8-(5-cyano-2-methylpyrimidin-4-yl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide (PubChem CID 163255107) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-amino-8-(5-cyano-2-methylpyrimidin-4-yl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-(5-cyano-2-methylpyrimidin-4-yl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide
PubChem CID163255107
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name4-amino-8-(5-cyano-2-methylpyrimidin-4-yl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide
SMILESCCCNC(=O)c1c(N)c2cccc(-c3nc(C)ncc3C#N)c2[nH]c1=O
InChIInChI=1S/C19H18N6O2/c1-3-7-22-18(26)14-15(21)12-5-4-6-13(17(12)25-19(14)27)16-11(8-20)9-23-10(2)24-16/h4-6,9H,3,7H2,1-2H3,(H,22,26)(H3,21,25,27)
InChIKeySUHDLYFZQHBJBE-UHFFFAOYSA-N
XLogP1.89
TPSA137.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(5-cyano-2-methylpyrimidin-4-yl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide?
The IUPAC name of 4-amino-8-(5-cyano-2-methylpyrimidin-4-yl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide (CID 163255107) is 4-amino-8-(5-cyano-2-methylpyrimidin-4-yl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-(5-cyano-2-methylpyrimidin-4-yl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-amino-8-(5-cyano-2-methylpyrimidin-4-yl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide is CCCNC(=O)c1c(N)c2cccc(-c3nc(C)ncc3C#N)c2[nH]c1=O.
What is the InChIKey of 4-amino-8-(5-cyano-2-methylpyrimidin-4-yl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide?
The InChIKey is SUHDLYFZQHBJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-3-7-22-18(26)14-15(21)12-5-4-6-13(17(12)25-19(14)27)16-11(8-20)9-23-10(2)24-16/h4-6,9H,3,7H2,1-2H3,(H,22,26)(H3,21,25,27).
What are the key properties of 4-amino-8-(5-cyano-2-methylpyrimidin-4-yl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide?
4-amino-8-(5-cyano-2-methylpyrimidin-4-yl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(5-cyano-2-methylpyrimidin-4-yl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide is sourced from PubChem (CID 163255107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).