7,8-dimethoxy-N-(4-propoxyphenyl)quinazolin-4-amine

C19H21N3O3 — CID 110434470

IUPAC7,8-dimethoxy-N-(4-propoxyphenyl)quinazolin-4-amine
SMILESCCCOc1ccc(Nc2ncnc3c(OC)c(OC)ccc23)cc1
InChIInChI=1S/C19H21N3O3/c1-4-11-25-14-7-5-13(6-8-14)22-19-15-9-10-16(23-2)18(24-3)17(15)20-12-21-19/h5-10,12H,4,11H2,1-3H3,(H,20,21,22)
InChIKeyRPFNKLLCGUONLU-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.18
Rot. Bonds7

About 7,8-dimethoxy-N-(4-propoxyphenyl)quinazolin-4-amine

7,8-dimethoxy-N-(4-propoxyphenyl)quinazolin-4-amine (PubChem CID 110434470) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 7,8-dimethoxy-N-(4-propoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name7,8-dimethoxy-N-(4-propoxyphenyl)quinazolin-4-amine
PubChem CID110434470
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name7,8-dimethoxy-N-(4-propoxyphenyl)quinazolin-4-amine
SMILESCCCOc1ccc(Nc2ncnc3c(OC)c(OC)ccc23)cc1
InChIInChI=1S/C19H21N3O3/c1-4-11-25-14-7-5-13(6-8-14)22-19-15-9-10-16(23-2)18(24-3)17(15)20-12-21-19/h5-10,12H,4,11H2,1-3H3,(H,20,21,22)
InChIKeyRPFNKLLCGUONLU-UHFFFAOYSA-N
XLogP4.18
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(7,8-dimethoxyquinazolin-4-yl)amino]benzonitrile
CID 110434481
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dimethoxyquinazolin-4-amine
CID 110434461
7,8-dimethoxy-N-pentan-3-ylquinazolin-4-amine
CID 155122341
7,8-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 110434448
methyl 3-[(7,8-dimethoxyquinazolin-4-yl)amino]benzoate
CID 110434452
7,8-dimethoxy-N-(3-nitrophenyl)quinazolin-4-amine
CID 110434476
6-N-(4-butoxyphenyl)-4-N-(5-chloro-2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22545988
3-N-(4-propoxyphenyl)pyrazine-2,3-diamine
CID 102986304
8-bromo-N-(4-ethoxyphenyl)quinazolin-4-amine
CID 110434524
N-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyquinazolin-4-amine
CID 90489034
4-chloro-6-(4-propoxyanilino)pyrimidine-5-carbaldehyde
CID 66368396
5,6-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698116

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-N-(4-propoxyphenyl)quinazolin-4-amine?
The IUPAC name of 7,8-dimethoxy-N-(4-propoxyphenyl)quinazolin-4-amine (CID 110434470) is 7,8-dimethoxy-N-(4-propoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 7,8-dimethoxy-N-(4-propoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 7,8-dimethoxy-N-(4-propoxyphenyl)quinazolin-4-amine is CCCOc1ccc(Nc2ncnc3c(OC)c(OC)ccc23)cc1.
What is the InChIKey of 7,8-dimethoxy-N-(4-propoxyphenyl)quinazolin-4-amine?
The InChIKey is RPFNKLLCGUONLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-4-11-25-14-7-5-13(6-8-14)22-19-15-9-10-16(23-2)18(24-3)17(15)20-12-21-19/h5-10,12H,4,11H2,1-3H3,(H,20,21,22).
What are the key properties of 7,8-dimethoxy-N-(4-propoxyphenyl)quinazolin-4-amine?
7,8-dimethoxy-N-(4-propoxyphenyl)quinazolin-4-amine has a molecular weight of 339.40 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-N-(4-propoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 110434470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).