7-(2-fluoro-6-methoxyphenyl)-6-methyl-4-piperazin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one

C29H31FN4O2 — CID 163582095

IUPAC7-(2-fluoro-6-methoxyphenyl)-6-methyl-4-piperazin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one
SMILESCOc1cccc(F)c1-c1cc2c(cc1C)c(N1CCNCC1)nc(=O)n2-c1ccccc1C(C)C
InChIInChI=1S/C29H31FN4O2/c1-18(2)20-8-5-6-10-24(20)34-25-17-21(27-23(30)9-7-11-26(27)36-4)19(3)16-22(25)28(32-29(34)35)33-14-12-31-13-15-33/h5-11,16-18,31H,12-15H2,1-4H3
InChIKeyGIKILCOIVAQRKD-UHFFFAOYSA-N
MW486.59 g/mol
LogP5.04
Rot. Bonds5

About 7-(2-fluoro-6-methoxyphenyl)-6-methyl-4-piperazin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one

7-(2-fluoro-6-methoxyphenyl)-6-methyl-4-piperazin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one (PubChem CID 163582095) has the molecular formula C29H31FN4O2 and a molecular weight of 486.59 g/mol. Its IUPAC name is 7-(2-fluoro-6-methoxyphenyl)-6-methyl-4-piperazin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one.

Molecular Properties

Compound Name7-(2-fluoro-6-methoxyphenyl)-6-methyl-4-piperazin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one
PubChem CID163582095
Molecular FormulaC29H31FN4O2
Molecular Weight486.59 g/mol
Exact Mass486.24
IUPAC Name7-(2-fluoro-6-methoxyphenyl)-6-methyl-4-piperazin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one
SMILESCOc1cccc(F)c1-c1cc2c(cc1C)c(N1CCNCC1)nc(=O)n2-c1ccccc1C(C)C
InChIInChI=1S/C29H31FN4O2/c1-18(2)20-8-5-6-10-24(20)34-25-17-21(27-23(30)9-7-11-26(27)36-4)19(3)16-22(25)28(32-29(34)35)33-14-12-31-13-15-33/h5-11,16-18,31H,12-15H2,1-4H3
InChIKeyGIKILCOIVAQRKD-UHFFFAOYSA-N
XLogP5.04
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.59
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(2-fluoro-6-methoxyphenyl)-6-methyl-4-piperazin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one with MolForge

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Related Compounds

N-[3-[3-[4-(aminomethyl)-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]piperazine-1-carboxamide
CID 155379273
1,3-Bis(2-methoxyphenyl)-1,2-dihydrobenzo[f]quinazoline
CID 3118877
2-(2,3-dihydropyridin-5-yl)-N-(4-fluorophenyl)-6-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-amine
CID 123413467
6-Chloro-7-(2-fluoro-6-methoxyphenyl)-4-piperazin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one
CID 135148753
6-Chloro-7-(2-fluoro-6-methoxyphenyl)-4-piperidin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one
CID 135165588
2-(2,3-dihydropyridin-5-yl)-N-[(3-fluorophenyl)methyl]-6-(3-methoxyphenyl)-2,3-dihydro-1H-quinazolin-4-imine
CID 137052424
N-[1-(2-butyl-3,5-difluorophenyl)ethenyl]-2-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-amine
CID 142125625
N'-ethyl-3,5-difluoro-N-[2-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-yl]-2-methylbenzenecarboximidamide
CID 142127751
2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-(2-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine
CID 142268863
2-[8-amino-5-(5-fluoro-2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-1,4-dihydroimidazol-5-one
CID 143553179
1-[4-[8-Fluoro-7-(2-fluoro-6-hydroxyphenyl)-2,6-dimethyl-1,2-dihydroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 145329389
13-(5-Fluoro-2-methoxyphenyl)-7-methyl-11-[4-(trifluoromethyl)phenyl]-1,4,12,14-tetrazatetracyclo[7.6.1.05,16.010,14]hexadeca-5,7,9(16),12-tetraene-3,15-dione
CID 146254924

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-6-methoxyphenyl)-6-methyl-4-piperazin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one?
The IUPAC name of 7-(2-fluoro-6-methoxyphenyl)-6-methyl-4-piperazin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one (CID 163582095) is 7-(2-fluoro-6-methoxyphenyl)-6-methyl-4-piperazin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one.
What is the SMILES notation for 7-(2-fluoro-6-methoxyphenyl)-6-methyl-4-piperazin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one?
The canonical SMILES for 7-(2-fluoro-6-methoxyphenyl)-6-methyl-4-piperazin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one is COc1cccc(F)c1-c1cc2c(cc1C)c(N1CCNCC1)nc(=O)n2-c1ccccc1C(C)C.
What is the InChIKey of 7-(2-fluoro-6-methoxyphenyl)-6-methyl-4-piperazin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one?
The InChIKey is GIKILCOIVAQRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN4O2/c1-18(2)20-8-5-6-10-24(20)34-25-17-21(27-23(30)9-7-11-26(27)36-4)19(3)16-22(25)28(32-29(34)35)33-14-12-31-13-15-33/h5-11,16-18,31H,12-15H2,1-4H3.
What are the key properties of 7-(2-fluoro-6-methoxyphenyl)-6-methyl-4-piperazin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one?
7-(2-fluoro-6-methoxyphenyl)-6-methyl-4-piperazin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one has a molecular weight of 486.59 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-6-methoxyphenyl)-6-methyl-4-piperazin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one is sourced from PubChem (CID 163582095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).