N-(3,4-dimethylphenyl)-4-(7-fluoro-4-oxoquinazolin-3-yl)piperidine-1-carboxamide

C22H23FN4O2 — CID 50828189

IUPACN-(3,4-dimethylphenyl)-4-(7-fluoro-4-oxoquinazolin-3-yl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(n3cnc4cc(F)ccc4c3=O)CC2)cc1C
InChIInChI=1S/C22H23FN4O2/c1-14-3-5-17(11-15(14)2)25-22(29)26-9-7-18(8-10-26)27-13-24-20-12-16(23)4-6-19(20)21(27)28/h3-6,11-13,18H,7-10H2,1-2H3,(H,25,29)
InChIKeyCBDFSWYHQKTODJ-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.02
Rot. Bonds2

About N-(3,4-dimethylphenyl)-4-(7-fluoro-4-oxoquinazolin-3-yl)piperidine-1-carboxamide

N-(3,4-dimethylphenyl)-4-(7-fluoro-4-oxoquinazolin-3-yl)piperidine-1-carboxamide (PubChem CID 50828189) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-(7-fluoro-4-oxoquinazolin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-(7-fluoro-4-oxoquinazolin-3-yl)piperidine-1-carboxamide
PubChem CID50828189
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC NameN-(3,4-dimethylphenyl)-4-(7-fluoro-4-oxoquinazolin-3-yl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(n3cnc4cc(F)ccc4c3=O)CC2)cc1C
InChIInChI=1S/C22H23FN4O2/c1-14-3-5-17(11-15(14)2)25-22(29)26-9-7-18(8-10-26)27-13-24-20-12-16(23)4-6-19(20)21(27)28/h3-6,11-13,18H,7-10H2,1-2H3,(H,25,29)
InChIKeyCBDFSWYHQKTODJ-UHFFFAOYSA-N
XLogP4.02
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-(7-fluoro-4-oxoquinazolin-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-(7-fluoro-4-oxoquinazolin-3-yl)piperidine-1-carboxamide (CID 50828189) is N-(3,4-dimethylphenyl)-4-(7-fluoro-4-oxoquinazolin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-(7-fluoro-4-oxoquinazolin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-(7-fluoro-4-oxoquinazolin-3-yl)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(n3cnc4cc(F)ccc4c3=O)CC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-(7-fluoro-4-oxoquinazolin-3-yl)piperidine-1-carboxamide?
The InChIKey is CBDFSWYHQKTODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-14-3-5-17(11-15(14)2)25-22(29)26-9-7-18(8-10-26)27-13-24-20-12-16(23)4-6-19(20)21(27)28/h3-6,11-13,18H,7-10H2,1-2H3,(H,25,29).
What are the key properties of N-(3,4-dimethylphenyl)-4-(7-fluoro-4-oxoquinazolin-3-yl)piperidine-1-carboxamide?
N-(3,4-dimethylphenyl)-4-(7-fluoro-4-oxoquinazolin-3-yl)piperidine-1-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-(7-fluoro-4-oxoquinazolin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 50828189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).