(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium

C18H25N4O6+ — CID 135808711

IUPAC(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
SMILESCCOC(=O)NC(=O)C[NH+](CC)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1
InChIInChI=1S/C18H24N4O6/c1-5-22(10-16(23)21-18(25)28-6-2)9-15-19-12-8-14(27-4)13(26-3)7-11(12)17(24)20-15/h7-8H,5-6,9-10H2,1-4H3,(H,19,20,24)(H,21,23,25)/p+1
InChIKeyPALOTPFNRFJIAS-UHFFFAOYSA-O
MW393.42 g/mol
LogP-0.38
Rot. Bonds8

About (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium

(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium (PubChem CID 135808711) has the molecular formula C18H25N4O6+ and a molecular weight of 393.42 g/mol. Its IUPAC name is (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium.

Molecular Properties

Compound Name(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
PubChem CID135808711
Molecular FormulaC18H25N4O6+
Molecular Weight393.42 g/mol
Exact Mass393.18
IUPAC Name(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
SMILESCCOC(=O)NC(=O)C[NH+](CC)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1
InChIInChI=1S/C18H24N4O6/c1-5-22(10-16(23)21-18(25)28-6-2)9-15-19-12-8-14(27-4)13(26-3)7-11(12)17(24)20-15/h7-8H,5-6,9-10H2,1-4H3,(H,19,20,24)(H,21,23,25)/p+1
InChIKeyPALOTPFNRFJIAS-UHFFFAOYSA-O
XLogP-0.38
TPSA124.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(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-ethyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 135808683
(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-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium
CID 135808641
[2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]azanium
CID 135732246
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-ethylazanium
CID 135808583
(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-ethyl-[2-(4-methylphenyl)sulfanylethyl]azanium
CID 135808575
(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-(2-phenoxyethyl)azanium
CID 135808539
(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(E)-3-phenylprop-2-enyl]azanium
CID 135808573
ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808327

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium?
The IUPAC name of (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium (CID 135808711) is (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium.
What is the SMILES notation for (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium?
The canonical SMILES for (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium is CCOC(=O)NC(=O)C[NH+](CC)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1.
What is the InChIKey of (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium?
The InChIKey is PALOTPFNRFJIAS-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H24N4O6/c1-5-22(10-16(23)21-18(25)28-6-2)9-15-19-12-8-14(27-4)13(26-3)7-11(12)17(24)20-15/h7-8H,5-6,9-10H2,1-4H3,(H,19,20,24)(H,21,23,25)/p+1.
What are the key properties of (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium?
(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium has a molecular weight of 393.42 g/mol, XLogP of -0.38, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium is sourced from PubChem (CID 135808711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).