2-(2,6-dimethyl-4-pyridinyl)-7-methoxy-5-(2-propan-2-yloxyethoxy)quinazoline

C21H25N3O3 — CID 90014426

IUPAC2-(2,6-dimethyl-4-pyridinyl)-7-methoxy-5-(2-propan-2-yloxyethoxy)quinazoline
SMILESCOc1cc(OCCOC(C)C)c2cnc(-c3cc(C)nc(C)c3)nc2c1
InChIInChI=1S/C21H25N3O3/c1-13(2)26-6-7-27-20-11-17(25-5)10-19-18(20)12-22-21(24-19)16-8-14(3)23-15(4)9-16/h8-13H,6-7H2,1-5H3
InChIKeyGYZLDZAKVOHKAE-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.12
Rot. Bonds7

About 2-(2,6-dimethyl-4-pyridinyl)-7-methoxy-5-(2-propan-2-yloxyethoxy)quinazoline

2-(2,6-dimethyl-4-pyridinyl)-7-methoxy-5-(2-propan-2-yloxyethoxy)quinazoline (PubChem CID 90014426) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-pyridinyl)-7-methoxy-5-(2-propan-2-yloxyethoxy)quinazoline.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-pyridinyl)-7-methoxy-5-(2-propan-2-yloxyethoxy)quinazoline
PubChem CID90014426
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-(2,6-dimethyl-4-pyridinyl)-7-methoxy-5-(2-propan-2-yloxyethoxy)quinazoline
SMILESCOc1cc(OCCOC(C)C)c2cnc(-c3cc(C)nc(C)c3)nc2c1
InChIInChI=1S/C21H25N3O3/c1-13(2)26-6-7-27-20-11-17(25-5)10-19-18(20)12-22-21(24-19)16-8-14(3)23-15(4)9-16/h8-13H,6-7H2,1-5H3
InChIKeyGYZLDZAKVOHKAE-UHFFFAOYSA-N
XLogP4.12
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-7-methoxy-5-(2-propan-2-yloxyethoxy)quinazoline?
The IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-7-methoxy-5-(2-propan-2-yloxyethoxy)quinazoline (CID 90014426) is 2-(2,6-dimethyl-4-pyridinyl)-7-methoxy-5-(2-propan-2-yloxyethoxy)quinazoline.
What is the SMILES notation for 2-(2,6-dimethyl-4-pyridinyl)-7-methoxy-5-(2-propan-2-yloxyethoxy)quinazoline?
The canonical SMILES for 2-(2,6-dimethyl-4-pyridinyl)-7-methoxy-5-(2-propan-2-yloxyethoxy)quinazoline is COc1cc(OCCOC(C)C)c2cnc(-c3cc(C)nc(C)c3)nc2c1.
What is the InChIKey of 2-(2,6-dimethyl-4-pyridinyl)-7-methoxy-5-(2-propan-2-yloxyethoxy)quinazoline?
The InChIKey is GYZLDZAKVOHKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-13(2)26-6-7-27-20-11-17(25-5)10-19-18(20)12-22-21(24-19)16-8-14(3)23-15(4)9-16/h8-13H,6-7H2,1-5H3.
What are the key properties of 2-(2,6-dimethyl-4-pyridinyl)-7-methoxy-5-(2-propan-2-yloxyethoxy)quinazoline?
2-(2,6-dimethyl-4-pyridinyl)-7-methoxy-5-(2-propan-2-yloxyethoxy)quinazoline has a molecular weight of 367.45 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-pyridinyl)-7-methoxy-5-(2-propan-2-yloxyethoxy)quinazoline is sourced from PubChem (CID 90014426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).