1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]quinazoline-2,4-dione

C29H28FN3O6 — CID 50793364

IUPAC1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]quinazoline-2,4-dione
SMILESCOc1cc2c(=O)n(Cc3ccc(C(=O)N4CCOCC4)cc3)c(=O)n(Cc3ccc(F)cc3)c2cc1OC
InChIInChI=1S/C29H28FN3O6/c1-37-25-15-23-24(16-26(25)38-2)32(17-20-5-9-22(30)10-6-20)29(36)33(28(23)35)18-19-3-7-21(8-4-19)27(34)31-11-13-39-14-12-31/h3-10,15-16H,11-14,17-18H2,1-2H3
InChIKeyJNLNHDLRHUMOFY-UHFFFAOYSA-N
MW533.56 g/mol
LogP2.89
Rot. Bonds7

About 1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]quinazoline-2,4-dione

1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]quinazoline-2,4-dione (PubChem CID 50793364) has the molecular formula C29H28FN3O6 and a molecular weight of 533.56 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]quinazoline-2,4-dione
PubChem CID50793364
Molecular FormulaC29H28FN3O6
Molecular Weight533.56 g/mol
Exact Mass533.20
IUPAC Name1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]quinazoline-2,4-dione
SMILESCOc1cc2c(=O)n(Cc3ccc(C(=O)N4CCOCC4)cc3)c(=O)n(Cc3ccc(F)cc3)c2cc1OC
InChIInChI=1S/C29H28FN3O6/c1-37-25-15-23-24(16-26(25)38-2)32(17-20-5-9-22(30)10-6-20)29(36)33(28(23)35)18-19-3-7-21(8-4-19)27(34)31-11-13-39-14-12-31/h3-10,15-16H,11-14,17-18H2,1-2H3
InChIKeyJNLNHDLRHUMOFY-UHFFFAOYSA-N
XLogP2.89
TPSA92.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.56
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]quinazoline-2,4-dione with MolForge

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Related Compounds

6,7-dimethoxy-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione
CID 50793415
N-[(2S)-butan-2-yl]-2-[6,7-dimethoxy-2,4-dioxo-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]quinazolin-1-yl]acetamide
CID 95050240
N-[(2R)-butan-2-yl]-2-[6,7-dimethoxy-2,4-dioxo-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]quinazolin-1-yl]acetamide
CID 95050239
N-butyl-4-[[1-[(3-fluorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 50793341
4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-phenylbenzamide
CID 50793351
N-cyclopentyl-4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 50793472
4-[[1-[(3-fluorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-(3-methylbutyl)benzamide
CID 50793241
2-(3-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl)acetic acid
CID 95914099
3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1H-quinazoline-2,4-dione
CID 167990896
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
4-[[6,7-dimethoxy-1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-propylbenzamide
CID 98321214
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 43001761

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]quinazoline-2,4-dione?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]quinazoline-2,4-dione (CID 50793364) is 1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]quinazoline-2,4-dione.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]quinazoline-2,4-dione?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]quinazoline-2,4-dione is COc1cc2c(=O)n(Cc3ccc(C(=O)N4CCOCC4)cc3)c(=O)n(Cc3ccc(F)cc3)c2cc1OC.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]quinazoline-2,4-dione?
The InChIKey is JNLNHDLRHUMOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN3O6/c1-37-25-15-23-24(16-26(25)38-2)32(17-20-5-9-22(30)10-6-20)29(36)33(28(23)35)18-19-3-7-21(8-4-19)27(34)31-11-13-39-14-12-31/h3-10,15-16H,11-14,17-18H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]quinazoline-2,4-dione?
1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]quinazoline-2,4-dione has a molecular weight of 533.56 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]quinazoline-2,4-dione is sourced from PubChem (CID 50793364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).