6,7-dimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine

C18H19N3O3 — CID 1474878

IUPAC6,7-dimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1cccc(CNc2ncnc3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C18H19N3O3/c1-22-13-6-4-5-12(7-13)10-19-18-14-8-16(23-2)17(24-3)9-15(14)20-11-21-18/h4-9,11H,10H2,1-3H3,(H,19,20,21)
InChIKeyHKOFKFRLVXKYIE-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.27
Rot. Bonds6

About 6,7-dimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine

6,7-dimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 1474878) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 6,7-dimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine
PubChem CID1474878
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name6,7-dimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1cccc(CNc2ncnc3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C18H19N3O3/c1-22-13-6-4-5-12(7-13)10-19-18-14-8-16(23-2)17(24-3)9-15(14)20-11-21-18/h4-9,11H,10H2,1-3H3,(H,19,20,21)
InChIKeyHKOFKFRLVXKYIE-UHFFFAOYSA-N
XLogP3.27
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Trimetrexate
CID 5583
Erlotinib Hydrochloride
CID 176871
N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine
CID 2051
Tandutinib
CID 3038522
Bunazosin
CID 2472
Icotinib
CID 22024915
Krn-633
CID 9549295
PD-153035
CID 4705
Cudc-101
CID 24756910

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine (CID 1474878) is 6,7-dimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine is COc1cccc(CNc2ncnc3cc(OC)c(OC)cc23)c1.
What is the InChIKey of 6,7-dimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is HKOFKFRLVXKYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-22-13-6-4-5-12(7-13)10-19-18-14-8-16(23-2)17(24-3)9-15(14)20-11-21-18/h4-9,11H,10H2,1-3H3,(H,19,20,21).
What are the key properties of 6,7-dimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine?
6,7-dimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine has a molecular weight of 325.37 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-[(3-methoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 1474878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).