4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2-chloro-5-methylphenol

C17H16ClN3O3 — CID 137339847

IUPAC4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2-chloro-5-methylphenol
SMILESCOc1cc2nc(-c3cc(Cl)c(O)cc3C)nc(N)c2cc1OC
InChIInChI=1S/C17H16ClN3O3/c1-8-4-13(22)11(18)5-9(8)17-20-12-7-15(24-3)14(23-2)6-10(12)16(19)21-17/h4-7,22H,1-3H3,(H2,19,20,21)
InChIKeyQONNEIRCCOMZFM-UHFFFAOYSA-N
MW345.79 g/mol
LogP3.56
Rot. Bonds3

About 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2-chloro-5-methylphenol

4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2-chloro-5-methylphenol (PubChem CID 137339847) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2-chloro-5-methylphenol.

Molecular Properties

Compound Name4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2-chloro-5-methylphenol
PubChem CID137339847
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC Name4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2-chloro-5-methylphenol
SMILESCOc1cc2nc(-c3cc(Cl)c(O)cc3C)nc(N)c2cc1OC
InChIInChI=1S/C17H16ClN3O3/c1-8-4-13(22)11(18)5-9(8)17-20-12-7-15(24-3)14(23-2)6-10(12)16(19)21-17/h4-7,22H,1-3H3,(H2,19,20,21)
InChIKeyQONNEIRCCOMZFM-UHFFFAOYSA-N
XLogP3.56
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2-chloro-5-methylphenol?
The IUPAC name of 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2-chloro-5-methylphenol (CID 137339847) is 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2-chloro-5-methylphenol.
What is the SMILES notation for 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2-chloro-5-methylphenol?
The canonical SMILES for 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2-chloro-5-methylphenol is COc1cc2nc(-c3cc(Cl)c(O)cc3C)nc(N)c2cc1OC.
What is the InChIKey of 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2-chloro-5-methylphenol?
The InChIKey is QONNEIRCCOMZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-8-4-13(22)11(18)5-9(8)17-20-12-7-15(24-3)14(23-2)6-10(12)16(19)21-17/h4-7,22H,1-3H3,(H2,19,20,21).
What are the key properties of 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2-chloro-5-methylphenol?
4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2-chloro-5-methylphenol has a molecular weight of 345.79 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2-chloro-5-methylphenol is sourced from PubChem (CID 137339847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).