2-cyclopentyl-6-fluoro-3H-quinazolin-4-one;N-methyl-6-piperazin-1-ylpyridine-3-carboxamide

C24H29FN6O2 — CID 176965151

IUPAC2-cyclopentyl-6-fluoro-3H-quinazolin-4-one;N-methyl-6-piperazin-1-ylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCNCC2)nc1.O=c1[nH]c(C2CCCC2)nc2ccc(F)cc12
InChIInChI=1S/C13H13FN2O.C11H16N4O/c14-9-5-6-11-10(7-9)13(17)16-12(15-11)8-3-1-2-4-8;1-12-11(16)9-2-3-10(14-8-9)15-6-4-13-5-7-15/h5-8H,1-4H2,(H,15,16,17);2-3,8,13H,4-7H2,1H3,(H,12,16)
InChIKeyQKGODDHNENKTKV-UHFFFAOYSA-N
MW452.53 g/mol
LogP2.57
Rot. Bonds3

About 2-cyclopentyl-6-fluoro-3H-quinazolin-4-one;N-methyl-6-piperazin-1-ylpyridine-3-carboxamide

2-cyclopentyl-6-fluoro-3H-quinazolin-4-one;N-methyl-6-piperazin-1-ylpyridine-3-carboxamide (PubChem CID 176965151) has the molecular formula C24H29FN6O2 and a molecular weight of 452.53 g/mol. Its IUPAC name is 2-cyclopentyl-6-fluoro-3H-quinazolin-4-one;N-methyl-6-piperazin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-6-fluoro-3H-quinazolin-4-one;N-methyl-6-piperazin-1-ylpyridine-3-carboxamide
PubChem CID176965151
Molecular FormulaC24H29FN6O2
Molecular Weight452.53 g/mol
Exact Mass452.23
IUPAC Name2-cyclopentyl-6-fluoro-3H-quinazolin-4-one;N-methyl-6-piperazin-1-ylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCNCC2)nc1.O=c1[nH]c(C2CCCC2)nc2ccc(F)cc12
InChIInChI=1S/C13H13FN2O.C11H16N4O/c14-9-5-6-11-10(7-9)13(17)16-12(15-11)8-3-1-2-4-8;1-12-11(16)9-2-3-10(14-8-9)15-6-4-13-5-7-15/h5-8H,1-4H2,(H,15,16,17);2-3,8,13H,4-7H2,1H3,(H,12,16)
InChIKeyQKGODDHNENKTKV-UHFFFAOYSA-N
XLogP2.57
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-6-fluoro-3H-quinazolin-4-one;N-methyl-6-piperazin-1-ylpyridine-3-carboxamide?
The IUPAC name of 2-cyclopentyl-6-fluoro-3H-quinazolin-4-one;N-methyl-6-piperazin-1-ylpyridine-3-carboxamide (CID 176965151) is 2-cyclopentyl-6-fluoro-3H-quinazolin-4-one;N-methyl-6-piperazin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-cyclopentyl-6-fluoro-3H-quinazolin-4-one;N-methyl-6-piperazin-1-ylpyridine-3-carboxamide?
The canonical SMILES for 2-cyclopentyl-6-fluoro-3H-quinazolin-4-one;N-methyl-6-piperazin-1-ylpyridine-3-carboxamide is CNC(=O)c1ccc(N2CCNCC2)nc1.O=c1[nH]c(C2CCCC2)nc2ccc(F)cc12.
What is the InChIKey of 2-cyclopentyl-6-fluoro-3H-quinazolin-4-one;N-methyl-6-piperazin-1-ylpyridine-3-carboxamide?
The InChIKey is QKGODDHNENKTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O.C11H16N4O/c14-9-5-6-11-10(7-9)13(17)16-12(15-11)8-3-1-2-4-8;1-12-11(16)9-2-3-10(14-8-9)15-6-4-13-5-7-15/h5-8H,1-4H2,(H,15,16,17);2-3,8,13H,4-7H2,1H3,(H,12,16).
What are the key properties of 2-cyclopentyl-6-fluoro-3H-quinazolin-4-one;N-methyl-6-piperazin-1-ylpyridine-3-carboxamide?
2-cyclopentyl-6-fluoro-3H-quinazolin-4-one;N-methyl-6-piperazin-1-ylpyridine-3-carboxamide has a molecular weight of 452.53 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-6-fluoro-3H-quinazolin-4-one;N-methyl-6-piperazin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 176965151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).