N-[1-(4-fluorophenyl)ethyl]-N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide

C22H24FN3O2 — CID 18121933

IUPACN-[1-(4-fluorophenyl)ethyl]-N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
SMILESCc1cccc2c(=O)n(CCCC(=O)N(C)C(C)c3ccc(F)cc3)cnc12
InChIInChI=1S/C22H24FN3O2/c1-15-6-4-7-19-21(15)24-14-26(22(19)28)13-5-8-20(27)25(3)16(2)17-9-11-18(23)12-10-17/h4,6-7,9-12,14,16H,5,8,13H2,1-3H3
InChIKeyGQBUQRJULKSVNJ-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.84
Rot. Bonds6

About N-[1-(4-fluorophenyl)ethyl]-N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide

N-[1-(4-fluorophenyl)ethyl]-N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide (PubChem CID 18121933) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
PubChem CID18121933
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
SMILESCc1cccc2c(=O)n(CCCC(=O)N(C)C(C)c3ccc(F)cc3)cnc12
InChIInChI=1S/C22H24FN3O2/c1-15-6-4-7-19-21(15)24-14-26(22(19)28)13-5-8-20(27)25(3)16(2)17-9-11-18(23)12-10-17/h4,6-7,9-12,14,16H,5,8,13H2,1-3H3
InChIKeyGQBUQRJULKSVNJ-UHFFFAOYSA-N
XLogP3.84
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 51273270
N-[(4-fluorophenyl)methyl]-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 46474620
N-ethyl-N-(4-fluorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 24535110
4-(8-methyl-4-oxoquinazolin-3-yl)butanoate
CID 9167242
4-[methyl-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid
CID 119137222
N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 31949527
4-fluoro-N-[4-[1-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]ethyl]phenyl]benzamide
CID 60538144
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide
CID 46513646
N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 43035945
diethyl 2-[4-(8-methyl-4-oxoquinazolin-3-yl)butanoylamino]propanedioate
CID 33254183
3-(2-fluoroethyl)-8-methylquinazolin-4-one
CID 71007475
N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51951419

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide (CID 18121933) is N-[1-(4-fluorophenyl)ethyl]-N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide is Cc1cccc2c(=O)n(CCCC(=O)N(C)C(C)c3ccc(F)cc3)cnc12.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide?
The InChIKey is GQBUQRJULKSVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-15-6-4-7-19-21(15)24-14-26(22(19)28)13-5-8-20(27)25(3)16(2)17-9-11-18(23)12-10-17/h4,6-7,9-12,14,16H,5,8,13H2,1-3H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide?
N-[1-(4-fluorophenyl)ethyl]-N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide has a molecular weight of 381.45 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 18121933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).