(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(3-methoxyphenyl)methyl]azanium

C21H26N3O4+ — CID 135808561

IUPAC(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(3-methoxyphenyl)methyl]azanium
SMILESCC[NH+](Cc1cccc(OC)c1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1
InChIInChI=1S/C21H25N3O4/c1-5-24(12-14-7-6-8-15(9-14)26-2)13-20-22-17-11-19(28-4)18(27-3)10-16(17)21(25)23-20/h6-11H,5,12-13H2,1-4H3,(H,22,23,25)/p+1
InChIKeyHZVCHZKTYXTRSA-UHFFFAOYSA-O
MW384.46 g/mol
LogP1.55
Rot. Bonds8

About (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(3-methoxyphenyl)methyl]azanium

(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(3-methoxyphenyl)methyl]azanium (PubChem CID 135808561) has the molecular formula C21H26N3O4+ and a molecular weight of 384.46 g/mol. Its IUPAC name is (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(3-methoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(3-methoxyphenyl)methyl]azanium
PubChem CID135808561
Molecular FormulaC21H26N3O4+
Molecular Weight384.46 g/mol
Exact Mass384.19
IUPAC Name(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(3-methoxyphenyl)methyl]azanium
SMILESCC[NH+](Cc1cccc(OC)c1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1
InChIInChI=1S/C21H25N3O4/c1-5-24(12-14-7-6-8-15(9-14)26-2)13-20-22-17-11-19(28-4)18(27-3)10-16(17)21(25)23-20/h6-11H,5,12-13H2,1-4H3,(H,22,23,25)/p+1
InChIKeyHZVCHZKTYXTRSA-UHFFFAOYSA-O
XLogP1.55
TPSA77.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-(2-phenoxyethyl)azanium
CID 135808539
2-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135808562
(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[2-(2-methylphenoxy)ethyl]azanium
CID 135808535
(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(E)-3-phenylprop-2-enyl]azanium
CID 135808573
(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[2-(4-methylphenyl)sulfanylethyl]azanium
CID 135808575
(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 135808683
(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 135808715
(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
CID 135808711
2-[[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 136733875
(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[2-(2-methylpropylamino)-2-oxoethyl]azanium
CID 135808677
(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]azanium
CID 135808553
(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium
CID 135808641

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(3-methoxyphenyl)methyl]azanium?
The IUPAC name of (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(3-methoxyphenyl)methyl]azanium (CID 135808561) is (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(3-methoxyphenyl)methyl]azanium.
What is the SMILES notation for (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(3-methoxyphenyl)methyl]azanium?
The canonical SMILES for (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(3-methoxyphenyl)methyl]azanium is CC[NH+](Cc1cccc(OC)c1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1.
What is the InChIKey of (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(3-methoxyphenyl)methyl]azanium?
The InChIKey is HZVCHZKTYXTRSA-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H25N3O4/c1-5-24(12-14-7-6-8-15(9-14)26-2)13-20-22-17-11-19(28-4)18(27-3)10-16(17)21(25)23-20/h6-11H,5,12-13H2,1-4H3,(H,22,23,25)/p+1.
What are the key properties of (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(3-methoxyphenyl)methyl]azanium?
(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(3-methoxyphenyl)methyl]azanium has a molecular weight of 384.46 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(3-methoxyphenyl)methyl]azanium is sourced from PubChem (CID 135808561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).