4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-propan-2-yloxyquinazolin-7-ol

C17H17ClN4O3 — CID 135503699

IUPAC4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-propan-2-yloxyquinazolin-7-ol
SMILESCOc1cnc(Cl)c(Nc2ncnc3cc(O)cc(OC(C)C)c23)c1
InChIInChI=1S/C17H17ClN4O3/c1-9(2)25-14-5-10(23)4-12-15(14)17(21-8-20-12)22-13-6-11(24-3)7-19-16(13)18/h4-9,23H,1-3H3,(H,20,21,22)
InChIKeyOQBCWHKKOCDNDA-UHFFFAOYSA-N
MW360.80 g/mol
LogP3.92
Rot. Bonds5

About 4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-propan-2-yloxyquinazolin-7-ol

4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-propan-2-yloxyquinazolin-7-ol (PubChem CID 135503699) has the molecular formula C17H17ClN4O3 and a molecular weight of 360.80 g/mol. Its IUPAC name is 4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-propan-2-yloxyquinazolin-7-ol.

Molecular Properties

Compound Name4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-propan-2-yloxyquinazolin-7-ol
PubChem CID135503699
Molecular FormulaC17H17ClN4O3
Molecular Weight360.80 g/mol
Exact Mass360.10
IUPAC Name4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-propan-2-yloxyquinazolin-7-ol
SMILESCOc1cnc(Cl)c(Nc2ncnc3cc(O)cc(OC(C)C)c23)c1
InChIInChI=1S/C17H17ClN4O3/c1-9(2)25-14-5-10(23)4-12-15(14)17(21-8-20-12)22-13-6-11(24-3)7-19-16(13)18/h4-9,23H,1-3H3,(H,20,21,22)
InChIKeyOQBCWHKKOCDNDA-UHFFFAOYSA-N
XLogP3.92
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-propan-2-yloxyquinazolin-7-ol?
The IUPAC name of 4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-propan-2-yloxyquinazolin-7-ol (CID 135503699) is 4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-propan-2-yloxyquinazolin-7-ol.
What is the SMILES notation for 4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-propan-2-yloxyquinazolin-7-ol?
The canonical SMILES for 4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-propan-2-yloxyquinazolin-7-ol is COc1cnc(Cl)c(Nc2ncnc3cc(O)cc(OC(C)C)c23)c1.
What is the InChIKey of 4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-propan-2-yloxyquinazolin-7-ol?
The InChIKey is OQBCWHKKOCDNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3/c1-9(2)25-14-5-10(23)4-12-15(14)17(21-8-20-12)22-13-6-11(24-3)7-19-16(13)18/h4-9,23H,1-3H3,(H,20,21,22).
What are the key properties of 4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-propan-2-yloxyquinazolin-7-ol?
4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-propan-2-yloxyquinazolin-7-ol has a molecular weight of 360.80 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-propan-2-yloxyquinazolin-7-ol is sourced from PubChem (CID 135503699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).