2-[4-fluoro-3-[5-[2-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-propylphenyl]phenyl]-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one

C47H43FN4O3 — CID 176687514

IUPAC2-[4-fluoro-3-[5-[2-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-propylphenyl]phenyl]-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCCc1ccc(N2C(=O)c3ccccc3NC2c2ccc(F)c(-c3cc(N4C(=O)c5ccccc5NC4c4cccc(OC)c4)ccc3CCC)c2)cc1
InChIInChI=1S/C47H43FN4O3/c1-4-11-30-19-23-34(24-20-30)51-45(50-42-17-8-6-15-37(42)46(51)53)33-22-26-41(48)40(28-33)39-29-35(25-21-31(39)12-5-2)52-44(32-13-10-14-36(27-32)55-3)49-43-18-9-7-16-38(43)47(52)54/h6-10,13-29,44-45,49-50H,4-5,11-12H2,1-3H3
InChIKeyFLSBBVWWZMSWFY-UHFFFAOYSA-N
MW730.88 g/mol
LogP10.95
Rot. Bonds10

About 2-[4-fluoro-3-[5-[2-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-propylphenyl]phenyl]-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one

2-[4-fluoro-3-[5-[2-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-propylphenyl]phenyl]-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 176687514) has the molecular formula C47H43FN4O3 and a molecular weight of 730.88 g/mol. Its IUPAC name is 2-[4-fluoro-3-[5-[2-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-propylphenyl]phenyl]-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[4-fluoro-3-[5-[2-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-propylphenyl]phenyl]-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID176687514
Molecular FormulaC47H43FN4O3
Molecular Weight730.88 g/mol
Exact Mass730.33
IUPAC Name2-[4-fluoro-3-[5-[2-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-propylphenyl]phenyl]-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCCc1ccc(N2C(=O)c3ccccc3NC2c2ccc(F)c(-c3cc(N4C(=O)c5ccccc5NC4c4cccc(OC)c4)ccc3CCC)c2)cc1
InChIInChI=1S/C47H43FN4O3/c1-4-11-30-19-23-34(24-20-30)51-45(50-42-17-8-6-15-37(42)46(51)53)33-22-26-41(48)40(28-33)39-29-35(25-21-31(39)12-5-2)52-44(32-13-10-14-36(27-32)55-3)49-43-18-9-7-16-38(43)47(52)54/h6-10,13-29,44-45,49-50H,4-5,11-12H2,1-3H3
InChIKeyFLSBBVWWZMSWFY-UHFFFAOYSA-N
XLogP10.95
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.88
LogP ≤ 510.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-fluoro-3-[5-[2-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-propylphenyl]phenyl]-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one with MolForge

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Related Compounds

5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-(3-(trifluoromethoxy)phenyl)quinazoline-2,4(1H,3H)-dione
CID 118873088
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-fluoro-9-oxo-10H-acridine-4-carboxamide
CID 10482708
N-(trans-4-(2-(8-methoxy-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl)cyclohexyl)-2-naphthamide
CID 44406687
3-Benzyl-2-(3-methoxyphenyl)-2,3-dihydro-4(1H)-quinazolinone
CID 563542
4(1H)-Naphthalenone,3-dihydro-2-(2-methoxy-1-naphthalenyl)-
CID 300576
2-(4-Methoxyphenyl)-3-[4-(methylpropyl)phenyl]-1,2,3-trihydroquinazolin-4-one
CID 3117509
2-[4-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)phenyl]-N-(3-methoxybenzyl)acetamide
CID 3599783
N-[4-[2-[(4aS)-8-methoxy-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl]ethyl]cyclohexyl]naphthalene-2-carboxamide
CID 11191200
Naphthalene-2-carboxylic acid {4-[2-((R)-8-methoxy-1,2,4,4a,5,6-hexahydro-pyrazino[1,2-a]quinolin-3-yl)-ethyl]-cyclohexyl}-amide
CID 11386434
1-{2-[(4-ethylphenyl)amino]-2-oxoethyl}-3-(4-methoxyphenyl)-N-(4-methylbenzyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
CID 16020275
1-{[(3-Fluorophenyl)carbamoyl]methyl}-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
CID 16020303
15-[2-(Dimethylamino)ethyl]-10-[3-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl-methylamino]propylamino]-5-methoxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione;hydrochloride
CID 45265862

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-[5-[2-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-propylphenyl]phenyl]-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-[4-fluoro-3-[5-[2-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-propylphenyl]phenyl]-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one (CID 176687514) is 2-[4-fluoro-3-[5-[2-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-propylphenyl]phenyl]-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[4-fluoro-3-[5-[2-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-propylphenyl]phenyl]-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-[4-fluoro-3-[5-[2-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-propylphenyl]phenyl]-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one is CCCc1ccc(N2C(=O)c3ccccc3NC2c2ccc(F)c(-c3cc(N4C(=O)c5ccccc5NC4c4cccc(OC)c4)ccc3CCC)c2)cc1.
What is the InChIKey of 2-[4-fluoro-3-[5-[2-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-propylphenyl]phenyl]-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is FLSBBVWWZMSWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H43FN4O3/c1-4-11-30-19-23-34(24-20-30)51-45(50-42-17-8-6-15-37(42)46(51)53)33-22-26-41(48)40(28-33)39-29-35(25-21-31(39)12-5-2)52-44(32-13-10-14-36(27-32)55-3)49-43-18-9-7-16-38(43)47(52)54/h6-10,13-29,44-45,49-50H,4-5,11-12H2,1-3H3.
What are the key properties of 2-[4-fluoro-3-[5-[2-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-propylphenyl]phenyl]-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one?
2-[4-fluoro-3-[5-[2-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-propylphenyl]phenyl]-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 730.88 g/mol, XLogP of 10.95, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-[5-[2-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-propylphenyl]phenyl]-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 176687514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).