6,7-dimethoxy-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one

C18H25N3O4 — CID 136793213

IUPAC6,7-dimethoxy-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
SMILESCOc1cc2nc(CN(C)C[C@@H]3CCCCO3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C18H25N3O4/c1-21(10-12-6-4-5-7-25-12)11-17-19-14-9-16(24-3)15(23-2)8-13(14)18(22)20-17/h8-9,12H,4-7,10-11H2,1-3H3,(H,19,20,22)/t12-/m0/s1
InChIKeyCDDNFDSPOJRWSP-LBPRGKRZSA-N
MW347.42 g/mol
LogP1.94
Rot. Bonds6

About 6,7-dimethoxy-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one

6,7-dimethoxy-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one (PubChem CID 136793213) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 6,7-dimethoxy-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
PubChem CID136793213
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name6,7-dimethoxy-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
SMILESCOc1cc2nc(CN(C)C[C@@H]3CCCCO3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C18H25N3O4/c1-21(10-12-6-4-5-7-25-12)11-17-19-14-9-16(24-3)15(23-2)8-13(14)18(22)20-17/h8-9,12H,4-7,10-11H2,1-3H3,(H,19,20,22)/t12-/m0/s1
InChIKeyCDDNFDSPOJRWSP-LBPRGKRZSA-N
XLogP1.94
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6,7-dimethoxy-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 137154641
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-(cyclopropylmethyl)-6,7-dimethoxy-3H-quinazolin-4-one
CID 136640407
2-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135670647
2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
CID 135808114
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 77096960
methyl 2-[[cyclohexylmethyl(methyl)amino]methyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135901406
6,7-dimethoxy-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135722533
N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 137132799
2-[[[(2S)-3,3-dimethylbutan-2-yl]-methylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135894270
2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-propylacetamide
CID 135809025

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 6,7-dimethoxy-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one (CID 136793213) is 6,7-dimethoxy-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 6,7-dimethoxy-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one is COc1cc2nc(CN(C)C[C@@H]3CCCCO3)[nH]c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one?
The InChIKey is CDDNFDSPOJRWSP-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-21(10-12-6-4-5-7-25-12)11-17-19-14-9-16(24-3)15(23-2)8-13(14)18(22)20-17/h8-9,12H,4-7,10-11H2,1-3H3,(H,19,20,22)/t12-/m0/s1.
What are the key properties of 6,7-dimethoxy-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one?
6,7-dimethoxy-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one has a molecular weight of 347.42 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136793213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).