4-fluoro-N-[1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-N-propylbenzamide

C26H31FN4O3 — CID 42725664

IUPAC4-fluoro-N-[1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-N-propylbenzamide
SMILESCCCNC(=O)CCn1c(C(C)N(CCC)C(=O)c2ccc(F)cc2)nc2ccccc2c1=O
InChIInChI=1S/C26H31FN4O3/c1-4-15-28-23(32)14-17-31-24(29-22-9-7-6-8-21(22)26(31)34)18(3)30(16-5-2)25(33)19-10-12-20(27)13-11-19/h6-13,18H,4-5,14-17H2,1-3H3,(H,28,32)
InChIKeyYPVSASZUTFVBTE-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.07
Rot. Bonds10

About 4-fluoro-N-[1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-N-propylbenzamide

4-fluoro-N-[1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-N-propylbenzamide (PubChem CID 42725664) has the molecular formula C26H31FN4O3 and a molecular weight of 466.56 g/mol. Its IUPAC name is 4-fluoro-N-[1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-N-propylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-N-propylbenzamide
PubChem CID42725664
Molecular FormulaC26H31FN4O3
Molecular Weight466.56 g/mol
Exact Mass466.24
IUPAC Name4-fluoro-N-[1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-N-propylbenzamide
SMILESCCCNC(=O)CCn1c(C(C)N(CCC)C(=O)c2ccc(F)cc2)nc2ccccc2c1=O
InChIInChI=1S/C26H31FN4O3/c1-4-15-28-23(32)14-17-31-24(29-22-9-7-6-8-21(22)26(31)34)18(3)30(16-5-2)25(33)19-10-12-20(27)13-11-19/h6-13,18H,4-5,14-17H2,1-3H3,(H,28,32)
InChIKeyYPVSASZUTFVBTE-UHFFFAOYSA-N
XLogP4.07
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-N-propylbenzamide with MolForge

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Related Compounds

N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzamide
CID 42711673
4-butyl-N-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylbenzamide
CID 7412483
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-4-fluoro-N-propylbenzamide
CID 42712056
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-4-ethyl-N-propylbenzamide
CID 42711389
[(1S)-1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-propylazanium
CID 7132449
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-fluoro-N-propylbenzamide
CID 42720516
N-butyl-4-nitro-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide
CID 42713290
4-chloro-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide
CID 42713238
N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylthiophene-2-carboxamide
CID 42713266
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 42718827
N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-fluoro-N-hexylbenzamide
CID 42720685
N-butyl-4-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42711515

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-N-propylbenzamide?
The IUPAC name of 4-fluoro-N-[1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-N-propylbenzamide (CID 42725664) is 4-fluoro-N-[1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-N-propylbenzamide.
What is the SMILES notation for 4-fluoro-N-[1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-N-propylbenzamide?
The canonical SMILES for 4-fluoro-N-[1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-N-propylbenzamide is CCCNC(=O)CCn1c(C(C)N(CCC)C(=O)c2ccc(F)cc2)nc2ccccc2c1=O.
What is the InChIKey of 4-fluoro-N-[1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-N-propylbenzamide?
The InChIKey is YPVSASZUTFVBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O3/c1-4-15-28-23(32)14-17-31-24(29-22-9-7-6-8-21(22)26(31)34)18(3)30(16-5-2)25(33)19-10-12-20(27)13-11-19/h6-13,18H,4-5,14-17H2,1-3H3,(H,28,32).
What are the key properties of 4-fluoro-N-[1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-N-propylbenzamide?
4-fluoro-N-[1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-N-propylbenzamide has a molecular weight of 466.56 g/mol, XLogP of 4.07, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-N-propylbenzamide is sourced from PubChem (CID 42725664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).