[3-[(6,7-dimethoxyquinazolin-4-yl)amino]cyclohepta-1,3,5-trien-1-yl]methanol

C18H19N3O3 — CID 142018097

IUPAC[3-[(6,7-dimethoxyquinazolin-4-yl)amino]cyclohepta-1,3,5-trien-1-yl]methanol
SMILESCOc1cc2ncnc(NC3=CC=CCC(CO)=C3)c2cc1OC
InChIInChI=1S/C18H19N3O3/c1-23-16-8-14-15(9-17(16)24-2)19-11-20-18(14)21-13-6-4-3-5-12(7-13)10-22/h3-4,6-9,11,22H,5,10H2,1-2H3,(H,19,20,21)
InChIKeyJEXNIPUHBMPVLN-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.82
Rot. Bonds5

About [3-[(6,7-dimethoxyquinazolin-4-yl)amino]cyclohepta-1,3,5-trien-1-yl]methanol

[3-[(6,7-dimethoxyquinazolin-4-yl)amino]cyclohepta-1,3,5-trien-1-yl]methanol (PubChem CID 142018097) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is [3-[(6,7-dimethoxyquinazolin-4-yl)amino]cyclohepta-1,3,5-trien-1-yl]methanol.

Molecular Properties

Compound Name[3-[(6,7-dimethoxyquinazolin-4-yl)amino]cyclohepta-1,3,5-trien-1-yl]methanol
PubChem CID142018097
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name[3-[(6,7-dimethoxyquinazolin-4-yl)amino]cyclohepta-1,3,5-trien-1-yl]methanol
SMILESCOc1cc2ncnc(NC3=CC=CCC(CO)=C3)c2cc1OC
InChIInChI=1S/C18H19N3O3/c1-23-16-8-14-15(9-17(16)24-2)19-11-20-18(14)21-13-6-4-3-5-12(7-13)10-22/h3-4,6-9,11,22H,5,10H2,1-2H3,(H,19,20,21)
InChIKeyJEXNIPUHBMPVLN-UHFFFAOYSA-N
XLogP2.82
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-[(6,7-dimethoxyquinazolin-4-yl)amino]cyclohepta-1,3,5-trien-1-yl]methanol with MolForge

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Related Compounds

2-[(6,7-dimethoxyquinazolin-4-yl)amino]-5-piperidin-1-ylcyclohexa-2,5-diene-1,4-dione
CID 11668355
2-bromo-5-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]cyclohexa-2,5-diene-1,4-dione
CID 11704732
N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
CID 1474879
[4-[[(6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenyl]phosphonous acid
CID 154672976
2-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol
CID 23569361
6,7-dimethoxy-N-naphthalen-1-ylquinazolin-4-amine;hydrochloride
CID 18770834
2-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]-5-pyrrolidin-1-ylcyclohexa-2,5-diene-1,4-dione
CID 11553614
6,7-dimethoxy-N-(methylideneamino)quinazolin-4-amine
CID 68596713
3-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol
CID 23569367
N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22172651
6,7-dimethoxy-N-(2-propylphenyl)quinazolin-4-amine
CID 68916243
2-[(6,7-dimethoxyquinazolin-4-yl)amino]butanedioic acid
CID 21002993

Frequently Asked Questions

What is the IUPAC name of [3-[(6,7-dimethoxyquinazolin-4-yl)amino]cyclohepta-1,3,5-trien-1-yl]methanol?
The IUPAC name of [3-[(6,7-dimethoxyquinazolin-4-yl)amino]cyclohepta-1,3,5-trien-1-yl]methanol (CID 142018097) is [3-[(6,7-dimethoxyquinazolin-4-yl)amino]cyclohepta-1,3,5-trien-1-yl]methanol.
What is the SMILES notation for [3-[(6,7-dimethoxyquinazolin-4-yl)amino]cyclohepta-1,3,5-trien-1-yl]methanol?
The canonical SMILES for [3-[(6,7-dimethoxyquinazolin-4-yl)amino]cyclohepta-1,3,5-trien-1-yl]methanol is COc1cc2ncnc(NC3=CC=CCC(CO)=C3)c2cc1OC.
What is the InChIKey of [3-[(6,7-dimethoxyquinazolin-4-yl)amino]cyclohepta-1,3,5-trien-1-yl]methanol?
The InChIKey is JEXNIPUHBMPVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-23-16-8-14-15(9-17(16)24-2)19-11-20-18(14)21-13-6-4-3-5-12(7-13)10-22/h3-4,6-9,11,22H,5,10H2,1-2H3,(H,19,20,21).
What are the key properties of [3-[(6,7-dimethoxyquinazolin-4-yl)amino]cyclohepta-1,3,5-trien-1-yl]methanol?
[3-[(6,7-dimethoxyquinazolin-4-yl)amino]cyclohepta-1,3,5-trien-1-yl]methanol has a molecular weight of 325.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6,7-dimethoxyquinazolin-4-yl)amino]cyclohepta-1,3,5-trien-1-yl]methanol is sourced from PubChem (CID 142018097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).