N-(1,3-benzodioxol-5-ylmethyl)-N-ethylquinazolin-4-amine

C18H17N3O2 — CID 24607854

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-ethylquinazolin-4-amine
SMILESCCN(Cc1ccc2c(c1)OCO2)c1ncnc2ccccc12
InChIInChI=1S/C18H17N3O2/c1-2-21(10-13-7-8-16-17(9-13)23-12-22-16)18-14-5-3-4-6-15(14)19-11-20-18/h3-9,11H,2,10,12H2,1H3
InChIKeyIYPUWMRNCCBRMN-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.38
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-N-ethylquinazolin-4-amine

N-(1,3-benzodioxol-5-ylmethyl)-N-ethylquinazolin-4-amine (PubChem CID 24607854) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-ethylquinazolin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-ethylquinazolin-4-amine
PubChem CID24607854
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-ethylquinazolin-4-amine
SMILESCCN(Cc1ccc2c(c1)OCO2)c1ncnc2ccccc12
InChIInChI=1S/C18H17N3O2/c1-2-21(10-13-7-8-16-17(9-13)23-12-22-16)18-14-5-3-4-6-15(14)19-11-20-18/h3-9,11H,2,10,12H2,1H3
InChIKeyIYPUWMRNCCBRMN-UHFFFAOYSA-N
XLogP3.38
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 24607845
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110436403
6-(1,3-benzodioxol-5-yl)-N-ethyl-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine
CID 44968240
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-methylphthalazin-1-amine
CID 24679697
N-butyl-N-ethylquinazolin-4-amine
CID 110433588
N-(1,3-benzodioxol-5-ylmethyl)-2-(quinazolin-4-ylamino)propanamide
CID 110436193
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylquinazolin-4-amine
CID 171329075
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 32682406
4-N-benzyl-4-N-ethylquinazoline-4,7-diamine
CID 65336807
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 24679695
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 30510117
6-[3-(1,3-benzodioxol-5-yl)propyl]quinazolin-4-amine
CID 123826343

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-ethylquinazolin-4-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-ethylquinazolin-4-amine (CID 24607854) is N-(1,3-benzodioxol-5-ylmethyl)-N-ethylquinazolin-4-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-ethylquinazolin-4-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-ethylquinazolin-4-amine is CCN(Cc1ccc2c(c1)OCO2)c1ncnc2ccccc12.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-ethylquinazolin-4-amine?
The InChIKey is IYPUWMRNCCBRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-2-21(10-13-7-8-16-17(9-13)23-12-22-16)18-14-5-3-4-6-15(14)19-11-20-18/h3-9,11H,2,10,12H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-ethylquinazolin-4-amine?
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylquinazolin-4-amine has a molecular weight of 307.35 g/mol, XLogP of 3.38, 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-ylmethyl)-N-ethylquinazolin-4-amine is sourced from PubChem (CID 24607854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).