N-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine

C18H17N3O2 — CID 24936078

IUPACN-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine
SMILESC=Cc1cccc(Nc2ncnc3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C18H17N3O2/c1-4-12-6-5-7-13(8-12)21-18-14-9-16(22-2)17(23-3)10-15(14)19-11-20-18/h4-11H,1H2,2-3H3,(H,19,20,21)
InChIKeyAMZFRPCWYNONGK-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.03
Rot. Bonds5

About N-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine

N-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine (PubChem CID 24936078) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine
PubChem CID24936078
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine
SMILESC=Cc1cccc(Nc2ncnc3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C18H17N3O2/c1-4-12-6-5-7-13(8-12)21-18-14-9-16(22-2)17(23-3)10-15(14)19-11-20-18/h4-11H,1H2,2-3H3,(H,19,20,21)
InChIKeyAMZFRPCWYNONGK-UHFFFAOYSA-N
XLogP4.03
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-ethenylphenyl)-7-methoxyquinazoline-4,6-diamine
CID 127255387
N-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine
CID 122628510
(E)-3-(3,4-dimethoxyphenyl)-1-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]prop-2-en-1-one
CID 127045057
N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine
CID 163979167
4-(3-bromoanilino)-6-methoxyquinazolin-7-ol
CID 135533250
4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol
CID 11142491
4-chloro-6,7-dimethoxyquinazoline;N-(3-ethynylphenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 162132329
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-prop-2-enoxyquinazolin-4-amine
CID 21098401
1-[4-[4-(3-bromoanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 25128049
6,7-dimethoxy-N-naphthalen-1-ylquinazolin-4-amine;hydrochloride
CID 18770834
4-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxybutanamide
CID 122195526
4-cyano-N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 22732246

Frequently Asked Questions

What is the IUPAC name of N-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of N-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine (CID 24936078) is N-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine is C=Cc1cccc(Nc2ncnc3cc(OC)c(OC)cc23)c1.
What is the InChIKey of N-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is AMZFRPCWYNONGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-4-12-6-5-7-13(8-12)21-18-14-9-16(22-2)17(23-3)10-15(14)19-11-20-18/h4-11H,1H2,2-3H3,(H,19,20,21).
What are the key properties of N-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine?
N-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 307.35 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 24936078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).