N-[2-(3-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide

C20H20FN3O2 — CID 29292801

IUPACN-[2-(3-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
SMILESO=C(CCCn1cnc2ccccc2c1=O)NCCc1cccc(F)c1
InChIInChI=1S/C20H20FN3O2/c21-16-6-3-5-15(13-16)10-11-22-19(25)9-4-12-24-14-23-18-8-2-1-7-17(18)20(24)26/h1-3,5-8,13-14H,4,9-12H2,(H,22,25)
InChIKeyAJSDXFUIQLFSTP-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.67
Rot. Bonds7

About N-[2-(3-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide

N-[2-(3-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide (PubChem CID 29292801) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
PubChem CID29292801
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
SMILESO=C(CCCn1cnc2ccccc2c1=O)NCCc1cccc(F)c1
InChIInChI=1S/C20H20FN3O2/c21-16-6-3-5-15(13-16)10-11-22-19(25)9-4-12-24-14-23-18-8-2-1-7-17(18)20(24)26/h1-3,5-8,13-14H,4,9-12H2,(H,22,25)
InChIKeyAJSDXFUIQLFSTP-UHFFFAOYSA-N
XLogP2.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 25487216
N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide
CID 43052254
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 30215788
N-[2-(2-methoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 34032078
N-[2-(1H-benzimidazol-2-yl)ethyl]-6-(4-oxoquinazolin-3-yl)hexanamide
CID 75490053
4-chloro-N-[2-[4-(4-oxoquinazolin-3-yl)butanoylamino]ethyl]benzamide
CID 30753783
N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 34487848
N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 75489122
N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460
4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 17419592
2-(3-fluorophenyl)-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]acetamide
CID 110712309
N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 90537872

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide (CID 29292801) is N-[2-(3-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide is O=C(CCCn1cnc2ccccc2c1=O)NCCc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide?
The InChIKey is AJSDXFUIQLFSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c21-16-6-3-5-15(13-16)10-11-22-19(25)9-4-12-24-14-23-18-8-2-1-7-17(18)20(24)26/h1-3,5-8,13-14H,4,9-12H2,(H,22,25).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide?
N-[2-(3-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide has a molecular weight of 353.40 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 29292801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).