N-[(4-fluorophenyl)methyl]-3-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide

C22H23FN4O2 — CID 53200664

IUPACN-[(4-fluorophenyl)methyl]-3-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide
SMILESO=C(CCn1c(N2CCCC2)nc2ccccc2c1=O)NCc1ccc(F)cc1
InChIInChI=1S/C22H23FN4O2/c23-17-9-7-16(8-10-17)15-24-20(28)11-14-27-21(29)18-5-1-2-6-19(18)25-22(27)26-12-3-4-13-26/h1-2,5-10H,3-4,11-15H2,(H,24,28)
InChIKeyXSLBLPUBTRRQAA-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.84
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-3-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide

N-[(4-fluorophenyl)methyl]-3-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide (PubChem CID 53200664) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide
PubChem CID53200664
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide
SMILESO=C(CCn1c(N2CCCC2)nc2ccccc2c1=O)NCc1ccc(F)cc1
InChIInChI=1S/C22H23FN4O2/c23-17-9-7-16(8-10-17)15-24-20(28)11-14-27-21(29)18-5-1-2-6-19(18)25-22(27)26-12-3-4-13-26/h1-2,5-10H,3-4,11-15H2,(H,24,28)
InChIKeyXSLBLPUBTRRQAA-UHFFFAOYSA-N
XLogP2.84
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(-)-6,7,7a,8-Tetrahydroquinazolino(3',2':1,6)pyrido(2,3-b)(1,4)benzodiazepine-9,16-dione
CID 130919
ME0328
CID 135566764
6H-Pyrimido(2,1-b)quinazolin-6-one, 1,2,3,4-tetrahydro-
CID 209367
2-(propylamino)-4(3H)-quinazolinone
CID 135439661
4(3H)-Quinazolinone, 3-(phenylmethyl)-
CID 616746
3(4H)-Quinazolineacetamide, 4-oxo-N-phenyl-
CID 742756
4(1H)-Quinazolinone, 2-(4-methyl-1-piperazinyl)-
CID 135399236
2-({2-[(3R)-3-aminopiperidin-1-yl]-6-fluoro-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)benzonitrile
CID 9799867
2-({2-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)benzonitrile
CID 16658022
2-{3-[4-phenyl-3,6-dihydro-1(2H)-pyridinyl]propyl}-4(3H)-quinazolinone
CID 135440318
3-(4-oxo-3H-quinazolin-2-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 136229577
(E)-3-benzylidene-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
CID 6514539

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide (CID 53200664) is N-[(4-fluorophenyl)methyl]-3-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide is O=C(CCn1c(N2CCCC2)nc2ccccc2c1=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide?
The InChIKey is XSLBLPUBTRRQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c23-17-9-7-16(8-10-17)15-24-20(28)11-14-27-21(29)18-5-1-2-6-19(18)25-22(27)26-12-3-4-13-26/h1-2,5-10H,3-4,11-15H2,(H,24,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide?
N-[(4-fluorophenyl)methyl]-3-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide has a molecular weight of 394.45 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide is sourced from PubChem (CID 53200664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).