2-chloro-6-ethoxy-7-methoxy-N-methylquinazolin-4-amine

C12H14ClN3O2 — CID 114693438

IUPAC2-chloro-6-ethoxy-7-methoxy-N-methylquinazolin-4-amine
SMILESCCOc1cc2c(NC)nc(Cl)nc2cc1OC
InChIInChI=1S/C12H14ClN3O2/c1-4-18-10-5-7-8(6-9(10)17-3)15-12(13)16-11(7)14-2/h5-6H,4H2,1-3H3,(H,14,15,16)
InChIKeyOGBVHXCXVYDVHQ-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.73
Rot. Bonds4

About 2-chloro-6-ethoxy-7-methoxy-N-methylquinazolin-4-amine

2-chloro-6-ethoxy-7-methoxy-N-methylquinazolin-4-amine (PubChem CID 114693438) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-chloro-6-ethoxy-7-methoxy-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-6-ethoxy-7-methoxy-N-methylquinazolin-4-amine
PubChem CID114693438
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name2-chloro-6-ethoxy-7-methoxy-N-methylquinazolin-4-amine
SMILESCCOc1cc2c(NC)nc(Cl)nc2cc1OC
InChIInChI=1S/C12H14ClN3O2/c1-4-18-10-5-7-8(6-9(10)17-3)15-12(13)16-11(7)14-2/h5-6H,4H2,1-3H3,(H,14,15,16)
InChIKeyOGBVHXCXVYDVHQ-UHFFFAOYSA-N
XLogP2.73
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethoxy-7-methoxy-N-methylquinazolin-4-amine?
The IUPAC name of 2-chloro-6-ethoxy-7-methoxy-N-methylquinazolin-4-amine (CID 114693438) is 2-chloro-6-ethoxy-7-methoxy-N-methylquinazolin-4-amine.
What is the SMILES notation for 2-chloro-6-ethoxy-7-methoxy-N-methylquinazolin-4-amine?
The canonical SMILES for 2-chloro-6-ethoxy-7-methoxy-N-methylquinazolin-4-amine is CCOc1cc2c(NC)nc(Cl)nc2cc1OC.
What is the InChIKey of 2-chloro-6-ethoxy-7-methoxy-N-methylquinazolin-4-amine?
The InChIKey is OGBVHXCXVYDVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-4-18-10-5-7-8(6-9(10)17-3)15-12(13)16-11(7)14-2/h5-6H,4H2,1-3H3,(H,14,15,16).
What are the key properties of 2-chloro-6-ethoxy-7-methoxy-N-methylquinazolin-4-amine?
2-chloro-6-ethoxy-7-methoxy-N-methylquinazolin-4-amine has a molecular weight of 267.72 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethoxy-7-methoxy-N-methylquinazolin-4-amine is sourced from PubChem (CID 114693438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).