7-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-3-methylquinazolin-4-one

C23H24FN3O2 — CID 56878661

IUPAC7-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-3-methylquinazolin-4-one
SMILESCn1cnc2cc(C(=O)N3CCCC(CCc4ccccc4F)C3)ccc2c1=O
InChIInChI=1S/C23H24FN3O2/c1-26-15-25-21-13-18(10-11-19(21)23(26)29)22(28)27-12-4-5-16(14-27)8-9-17-6-2-3-7-20(17)24/h2-3,6-7,10-11,13,15-16H,4-5,8-9,12,14H2,1H3
InChIKeyBKULOAGQRUTJGA-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.56
Rot. Bonds4

About 7-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-3-methylquinazolin-4-one

7-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-3-methylquinazolin-4-one (PubChem CID 56878661) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 7-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name7-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-3-methylquinazolin-4-one
PubChem CID56878661
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name7-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-3-methylquinazolin-4-one
SMILESCn1cnc2cc(C(=O)N3CCCC(CCc4ccccc4F)C3)ccc2c1=O
InChIInChI=1S/C23H24FN3O2/c1-26-15-25-21-13-18(10-11-19(21)23(26)29)22(28)27-12-4-5-16(14-27)8-9-17-6-2-3-7-20(17)24/h2-3,6-7,10-11,13,15-16H,4-5,8-9,12,14H2,1H3
InChIKeyBKULOAGQRUTJGA-UHFFFAOYSA-N
XLogP3.56
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-7-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]quinazolin-4-one
CID 96581445
2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]benzonitrile
CID 95463717
1-[3-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 56866152
2-(diethylamino)-1-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 56861954
[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95463500
(3-fluoro-2-methoxyphenyl)-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95550301
[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 42310649
3-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 45186260
[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 56861522
[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(furan-2-yl)methanone
CID 42239830
7-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3-methylquinazolin-4-one
CID 56702148
[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 50978916

Frequently Asked Questions

What is the IUPAC name of 7-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-3-methylquinazolin-4-one?
The IUPAC name of 7-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-3-methylquinazolin-4-one (CID 56878661) is 7-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 7-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-3-methylquinazolin-4-one?
The canonical SMILES for 7-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-3-methylquinazolin-4-one is Cn1cnc2cc(C(=O)N3CCCC(CCc4ccccc4F)C3)ccc2c1=O.
What is the InChIKey of 7-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-3-methylquinazolin-4-one?
The InChIKey is BKULOAGQRUTJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-26-15-25-21-13-18(10-11-19(21)23(26)29)22(28)27-12-4-5-16(14-27)8-9-17-6-2-3-7-20(17)24/h2-3,6-7,10-11,13,15-16H,4-5,8-9,12,14H2,1H3.
What are the key properties of 7-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-3-methylquinazolin-4-one?
7-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-3-methylquinazolin-4-one has a molecular weight of 393.46 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 56878661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).