N-(1,3-benzodioxol-5-yl)-2-benzyl-N-methylquinazolin-4-amine

C23H19N3O2 — CID 69314015

IUPACN-(1,3-benzodioxol-5-yl)-2-benzyl-N-methylquinazolin-4-amine
SMILESCN(c1ccc2c(c1)OCO2)c1nc(Cc2ccccc2)nc2ccccc12
InChIInChI=1S/C23H19N3O2/c1-26(17-11-12-20-21(14-17)28-15-27-20)23-18-9-5-6-10-19(18)24-22(25-23)13-16-7-3-2-4-8-16/h2-12,14H,13,15H2,1H3
InChIKeyZHVPIBVKTRXLDF-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.72
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-benzyl-N-methylquinazolin-4-amine

N-(1,3-benzodioxol-5-yl)-2-benzyl-N-methylquinazolin-4-amine (PubChem CID 69314015) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-benzyl-N-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-benzyl-N-methylquinazolin-4-amine
PubChem CID69314015
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-benzyl-N-methylquinazolin-4-amine
SMILESCN(c1ccc2c(c1)OCO2)c1nc(Cc2ccccc2)nc2ccccc12
InChIInChI=1S/C23H19N3O2/c1-26(17-11-12-20-21(14-17)28-15-27-20)23-18-9-5-6-10-19(18)24-22(25-23)13-16-7-3-2-4-8-16/h2-12,14H,13,15H2,1H3
InChIKeyZHVPIBVKTRXLDF-UHFFFAOYSA-N
XLogP4.72
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(chloromethyl)-N-methyl-N-phenylquinazolin-4-amine
CID 57223906
N-(1,3-benzodioxol-5-yl)-N-methyl-2-(methylamino)-3-phenylpropanamide
CID 144835962
6-(2-phenylethoxy)-[1,3]dioxolo[4,5-j]phenanthridine
CID 139237684
N-benzyl-N-iodo-1,3-benzodioxol-5-amine
CID 163476763
2-(chloromethyl)-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine
CID 68517238
2-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylquinazolin-4-amine
CID 59242131
N-(1,3-benzodioxol-5-ylmethyl)-2-benzyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91965007
2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-methylquinazolin-4-one
CID 584789
6-chloro-[1,3]dioxolo[4,5-j]phenanthridine
CID 11032549
2-(1,3-benzodioxol-5-ylmethyl)-4-benzyl-5,6-dimethylpyrimidine;1,2-dimethylimidazole;ethane
CID 90889033
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylquinazolin-4-amine
CID 24607854
2-N-(1,3-benzodioxol-5-yl)-2-N,3-dimethylpyridine-2,5-diamine
CID 115147885

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-benzyl-N-methylquinazolin-4-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-benzyl-N-methylquinazolin-4-amine (CID 69314015) is N-(1,3-benzodioxol-5-yl)-2-benzyl-N-methylquinazolin-4-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-benzyl-N-methylquinazolin-4-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-benzyl-N-methylquinazolin-4-amine is CN(c1ccc2c(c1)OCO2)c1nc(Cc2ccccc2)nc2ccccc12.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-benzyl-N-methylquinazolin-4-amine?
The InChIKey is ZHVPIBVKTRXLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-26(17-11-12-20-21(14-17)28-15-27-20)23-18-9-5-6-10-19(18)24-22(25-23)13-16-7-3-2-4-8-16/h2-12,14H,13,15H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-benzyl-N-methylquinazolin-4-amine?
N-(1,3-benzodioxol-5-yl)-2-benzyl-N-methylquinazolin-4-amine has a molecular weight of 369.42 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-benzyl-N-methylquinazolin-4-amine is sourced from PubChem (CID 69314015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).