(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium

C22H21ClN3O2+ — CID 135722530

IUPAC(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
SMILESCOc1ccc2cc(C[NH+](C)Cc3nc4cc(Cl)ccc4c(=O)[nH]3)ccc2c1
InChIInChI=1S/C22H20ClN3O2/c1-26(12-14-3-4-16-10-18(28-2)7-5-15(16)9-14)13-21-24-20-11-17(23)6-8-19(20)22(27)25-21/h3-11H,12-13H2,1-2H3,(H,24,25,27)/p+1
InChIKeyNEYSQGUNJZGVID-UHFFFAOYSA-O
MW394.88 g/mol
LogP2.95
Rot. Bonds5

About (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium

(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium (PubChem CID 135722530) has the molecular formula C22H21ClN3O2+ and a molecular weight of 394.88 g/mol. Its IUPAC name is (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium.

Molecular Properties

Compound Name(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
PubChem CID135722530
Molecular FormulaC22H21ClN3O2+
Molecular Weight394.88 g/mol
Exact Mass394.13
IUPAC Name(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
SMILESCOc1ccc2cc(C[NH+](C)Cc3nc4cc(Cl)ccc4c(=O)[nH]3)ccc2c1
InChIInChI=1S/C22H20ClN3O2/c1-26(12-14-3-4-16-10-18(28-2)7-5-15(16)9-14)13-21-24-20-11-17(23)6-8-19(20)22(27)25-21/h3-11H,12-13H2,1-2H3,(H,24,25,27)/p+1
InChIKeyNEYSQGUNJZGVID-UHFFFAOYSA-O
XLogP2.95
TPSA59.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium with MolForge

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Related Compounds

(5-bromothiophen-2-yl)methyl-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-methylazanium
CID 135811812
7-chloro-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135811769
7-chloro-2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135724878
7-chloro-2-[(4-ethylpyridin-1-ium-1-yl)methyl]-3H-quinazolin-4-one
CID 135677170
6,7-dimethoxy-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135722533
2-(2-aminopropyl)-7-chloro-3H-quinazolin-4-one
CID 136917917
7-chloro-2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135951727
methyl-[(4-methylsulfanylphenyl)methyl]-[[4-oxo-7-(trifluoromethyl)-3H-quinazolin-2-yl]methyl]azanium
CID 135753613
7-chloro-2-[(2-methoxypropylamino)methyl]-3H-quinazolin-4-one
CID 136820283
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-(3-methoxyphenyl)-N-propylpropanamide
CID 137285448
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9053942
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-naphthalen-2-yl-N-propylacetamide
CID 135962407

Frequently Asked Questions

What is the IUPAC name of (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium?
The IUPAC name of (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium (CID 135722530) is (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium.
What is the SMILES notation for (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium?
The canonical SMILES for (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium is COc1ccc2cc(C[NH+](C)Cc3nc4cc(Cl)ccc4c(=O)[nH]3)ccc2c1.
What is the InChIKey of (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium?
The InChIKey is NEYSQGUNJZGVID-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H20ClN3O2/c1-26(12-14-3-4-16-10-18(28-2)7-5-15(16)9-14)13-21-24-20-11-17(23)6-8-19(20)22(27)25-21/h3-11H,12-13H2,1-2H3,(H,24,25,27)/p+1.
What are the key properties of (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium?
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium has a molecular weight of 394.88 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium is sourced from PubChem (CID 135722530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).