N-(4-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide

C21H21FN4O2 — CID 50828300

IUPACN-(4-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide
SMILESCc1cccc2c(=O)n(C3CCN(C(=O)Nc4ccc(F)cc4)CC3)cnc12
InChIInChI=1S/C21H21FN4O2/c1-14-3-2-4-18-19(14)23-13-26(20(18)27)17-9-11-25(12-10-17)21(28)24-16-7-5-15(22)6-8-16/h2-8,13,17H,9-12H2,1H3,(H,24,28)
InChIKeyDTVSAXQYYDLBFR-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.71
Rot. Bonds2

About N-(4-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide

N-(4-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide (PubChem CID 50828300) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide
PubChem CID50828300
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-(4-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide
SMILESCc1cccc2c(=O)n(C3CCN(C(=O)Nc4ccc(F)cc4)CC3)cnc12
InChIInChI=1S/C21H21FN4O2/c1-14-3-2-4-18-19(14)23-13-26(20(18)27)17-9-11-25(12-10-17)21(28)24-16-7-5-15(22)6-8-16/h2-8,13,17H,9-12H2,1H3,(H,24,28)
InChIKeyDTVSAXQYYDLBFR-UHFFFAOYSA-N
XLogP3.71
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-oxoquinazolin-3-yl)-N-phenylpiperidine-1-carboxamide
CID 46344313
3-(azetidin-3-yl)-8-methylquinazolin-4-one
CID 117264577
4-(6-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide
CID 50828302
3-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-8-methylquinazolin-4-one
CID 53113917
4-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 50828271
4-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 50828339
4-amino-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 16773171
N-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide
CID 123534187
N-(2-chloro-4-methylphenyl)-4-(6-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide
CID 50828397
N-(2,3-dimethylphenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide
CID 46286518
N-(4-fluorophenyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carboxamide
CID 90566506
3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 62068743

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide (CID 50828300) is N-(4-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide is Cc1cccc2c(=O)n(C3CCN(C(=O)Nc4ccc(F)cc4)CC3)cnc12.
What is the InChIKey of N-(4-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide?
The InChIKey is DTVSAXQYYDLBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-14-3-2-4-18-19(14)23-13-26(20(18)27)17-9-11-25(12-10-17)21(28)24-16-7-5-15(22)6-8-16/h2-8,13,17H,9-12H2,1H3,(H,24,28).
What are the key properties of N-(4-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide?
N-(4-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 50828300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).