N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-6,7-dimethylquinazolin-4-amine

C21H23N3O2 — CID 154851427

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-6,7-dimethylquinazolin-4-amine
SMILESCCN(CC1COc2ccccc2O1)c1ncnc2cc(C)c(C)cc12
InChIInChI=1S/C21H23N3O2/c1-4-24(11-16-12-25-19-7-5-6-8-20(19)26-16)21-17-9-14(2)15(3)10-18(17)22-13-23-21/h5-10,13,16H,4,11-12H2,1-3H3
InChIKeyAWYYYEGEIYCKFE-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.91
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-6,7-dimethylquinazolin-4-amine

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-6,7-dimethylquinazolin-4-amine (PubChem CID 154851427) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-6,7-dimethylquinazolin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-6,7-dimethylquinazolin-4-amine
PubChem CID154851427
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-6,7-dimethylquinazolin-4-amine
SMILESCCN(CC1COc2ccccc2O1)c1ncnc2cc(C)c(C)cc12
InChIInChI=1S/C21H23N3O2/c1-4-24(11-16-12-25-19-7-5-6-8-20(19)26-16)21-17-9-14(2)15(3)10-18(17)22-13-23-21/h5-10,13,16H,4,11-12H2,1-3H3
InChIKeyAWYYYEGEIYCKFE-UHFFFAOYSA-N
XLogP3.91
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-6,7-dimethylquinazolin-4-amine with MolForge

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-5,6-dimethylpyridazin-3-amine
CID 133489254
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylthieno[3,2-d]pyrimidin-4-amine
CID 42951280
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-6-methylpyridin-2-amine
CID 133481795
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-methoxy-N-methylquinazolin-4-amine
CID 154851439
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181
6-bromo-N-(cyclopropylmethyl)-N-ethylquinazolin-4-amine
CID 86946189
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methoxy-N,4-dimethylbenzamide
CID 51230534
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,3-trimethylquinoxaline-6-carboxamide
CID 42894511
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 47016247
3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]pyrazine-2-carbonitrile
CID 124872549
2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpropanamide;hydrochloride
CID 119267933
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpiperidin-4-amine
CID 60805439

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-6,7-dimethylquinazolin-4-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-6,7-dimethylquinazolin-4-amine (CID 154851427) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-6,7-dimethylquinazolin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-6,7-dimethylquinazolin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-6,7-dimethylquinazolin-4-amine is CCN(CC1COc2ccccc2O1)c1ncnc2cc(C)c(C)cc12.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-6,7-dimethylquinazolin-4-amine?
The InChIKey is AWYYYEGEIYCKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-24(11-16-12-25-19-7-5-6-8-20(19)26-16)21-17-9-14(2)15(3)10-18(17)22-13-23-21/h5-10,13,16H,4,11-12H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-6,7-dimethylquinazolin-4-amine?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-6,7-dimethylquinazolin-4-amine has a molecular weight of 349.43 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-6,7-dimethylquinazolin-4-amine is sourced from PubChem (CID 154851427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).