6,7-dimethoxy-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-3H-quinazolin-4-one

C24H25N3O4 — CID 135722533

IUPAC6,7-dimethoxy-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-3H-quinazolin-4-one
SMILESCOc1ccc2cc(CN(C)Cc3nc4cc(OC)c(OC)cc4c(=O)[nH]3)ccc2c1
InChIInChI=1S/C24H25N3O4/c1-27(13-15-5-6-17-10-18(29-2)8-7-16(17)9-15)14-23-25-20-12-22(31-4)21(30-3)11-19(20)24(28)26-23/h5-12H,13-14H2,1-4H3,(H,25,26,28)
InChIKeyKLYKMCXHFIBIHI-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.73
Rot. Bonds7

About 6,7-dimethoxy-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-3H-quinazolin-4-one

6,7-dimethoxy-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-3H-quinazolin-4-one (PubChem CID 135722533) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 6,7-dimethoxy-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-3H-quinazolin-4-one
PubChem CID135722533
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name6,7-dimethoxy-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-3H-quinazolin-4-one
SMILESCOc1ccc2cc(CN(C)Cc3nc4cc(OC)c(OC)cc4c(=O)[nH]3)ccc2c1
InChIInChI=1S/C24H25N3O4/c1-27(13-15-5-6-17-10-18(29-2)8-7-16(17)9-15)14-23-25-20-12-22(31-4)21(30-3)11-19(20)24(28)26-23/h5-12H,13-14H2,1-4H3,(H,25,26,28)
InChIKeyKLYKMCXHFIBIHI-UHFFFAOYSA-N
XLogP3.73
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-chloro-2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135724878
2-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135808562
2-[[furan-2-ylmethyl(methyl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135809081
2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135519701
2-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135724890
7-chloro-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135811769
2-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135670647
2-[[[(2S)-3,3-dimethylbutan-2-yl]-methylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135894270
2-[[[(1R)-1,2-bis(4-methoxyphenyl)ethyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135964295
2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-propylacetamide
CID 135809025
2-[[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 136733875
2-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135415520

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 6,7-dimethoxy-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-3H-quinazolin-4-one (CID 135722533) is 6,7-dimethoxy-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 6,7-dimethoxy-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-3H-quinazolin-4-one is COc1ccc2cc(CN(C)Cc3nc4cc(OC)c(OC)cc4c(=O)[nH]3)ccc2c1.
What is the InChIKey of 6,7-dimethoxy-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-3H-quinazolin-4-one?
The InChIKey is KLYKMCXHFIBIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-27(13-15-5-6-17-10-18(29-2)8-7-16(17)9-15)14-23-25-20-12-22(31-4)21(30-3)11-19(20)24(28)26-23/h5-12H,13-14H2,1-4H3,(H,25,26,28).
What are the key properties of 6,7-dimethoxy-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-3H-quinazolin-4-one?
6,7-dimethoxy-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-3H-quinazolin-4-one has a molecular weight of 419.48 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135722533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).