4-[2-[(5-methylquinazolin-4-yl)amino]ethyl]benzene-1,2-diol

C17H17N3O2 — CID 133349192

IUPAC4-[2-[(5-methylquinazolin-4-yl)amino]ethyl]benzene-1,2-diol
SMILESCc1cccc2ncnc(NCCc3ccc(O)c(O)c3)c12
InChIInChI=1S/C17H17N3O2/c1-11-3-2-4-13-16(11)17(20-10-19-13)18-8-7-12-5-6-14(21)15(22)9-12/h2-6,9-10,21-22H,7-8H2,1H3,(H,18,19,20)
InChIKeyNPAIWTXECQKCDT-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.00
Rot. Bonds4

About 4-[2-[(5-methylquinazolin-4-yl)amino]ethyl]benzene-1,2-diol

4-[2-[(5-methylquinazolin-4-yl)amino]ethyl]benzene-1,2-diol (PubChem CID 133349192) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-[2-[(5-methylquinazolin-4-yl)amino]ethyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[2-[(5-methylquinazolin-4-yl)amino]ethyl]benzene-1,2-diol
PubChem CID133349192
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name4-[2-[(5-methylquinazolin-4-yl)amino]ethyl]benzene-1,2-diol
SMILESCc1cccc2ncnc(NCCc3ccc(O)c(O)c3)c12
InChIInChI=1S/C17H17N3O2/c1-11-3-2-4-13-16(11)17(20-10-19-13)18-8-7-12-5-6-14(21)15(22)9-12/h2-6,9-10,21-22H,7-8H2,1H3,(H,18,19,20)
InChIKeyNPAIWTXECQKCDT-UHFFFAOYSA-N
XLogP3.00
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-[2-[(5-methylquinazolin-4-yl)amino]ethyl]benzene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-pentylquinazolin-4-amine
CID 25175828
N-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-methylquinazolin-4-amine
CID 133444711
2-methyl-4-[2-(pteridin-4-ylamino)ethyl]phenol
CID 58174107
4-[2-(quinolin-4-ylamino)ethyl]benzene-1,2-diol;hydrate
CID 70111216
4-[2-(quinazolin-4-ylamino)ethyl]phenol
CID 24742057
4-[2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]benzene-1,2-diol
CID 133428928
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-methylquinazolin-4-amine
CID 133411366
4-[2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzene-1,2-diol
CID 133461658
5-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]quinazolin-4-amine
CID 133422616
4-(2-pyridin-4-ylethylamino)quinazoline-5-carboxylic acid
CID 1414043
5-methyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]quinazolin-4-amine
CID 86778576
N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 701177

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-methylquinazolin-4-yl)amino]ethyl]benzene-1,2-diol?
The IUPAC name of 4-[2-[(5-methylquinazolin-4-yl)amino]ethyl]benzene-1,2-diol (CID 133349192) is 4-[2-[(5-methylquinazolin-4-yl)amino]ethyl]benzene-1,2-diol.
What is the SMILES notation for 4-[2-[(5-methylquinazolin-4-yl)amino]ethyl]benzene-1,2-diol?
The canonical SMILES for 4-[2-[(5-methylquinazolin-4-yl)amino]ethyl]benzene-1,2-diol is Cc1cccc2ncnc(NCCc3ccc(O)c(O)c3)c12.
What is the InChIKey of 4-[2-[(5-methylquinazolin-4-yl)amino]ethyl]benzene-1,2-diol?
The InChIKey is NPAIWTXECQKCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-3-2-4-13-16(11)17(20-10-19-13)18-8-7-12-5-6-14(21)15(22)9-12/h2-6,9-10,21-22H,7-8H2,1H3,(H,18,19,20).
What are the key properties of 4-[2-[(5-methylquinazolin-4-yl)amino]ethyl]benzene-1,2-diol?
4-[2-[(5-methylquinazolin-4-yl)amino]ethyl]benzene-1,2-diol has a molecular weight of 295.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-methylquinazolin-4-yl)amino]ethyl]benzene-1,2-diol is sourced from PubChem (CID 133349192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).