5-cyclohexyl-8-methoxy-N-methylquinazolin-2-amine

C16H21N3O — CID 23157885

IUPAC5-cyclohexyl-8-methoxy-N-methylquinazolin-2-amine
SMILESCNc1ncc2c(C3CCCCC3)ccc(OC)c2n1
InChIInChI=1S/C16H21N3O/c1-17-16-18-10-13-12(11-6-4-3-5-7-11)8-9-14(20-2)15(13)19-16/h8-11H,3-7H2,1-2H3,(H,17,18,19)
InChIKeyCADROLUKPPVPJY-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.73
Rot. Bonds3

About 5-cyclohexyl-8-methoxy-N-methylquinazolin-2-amine

5-cyclohexyl-8-methoxy-N-methylquinazolin-2-amine (PubChem CID 23157885) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-cyclohexyl-8-methoxy-N-methylquinazolin-2-amine.

Molecular Properties

Compound Name5-cyclohexyl-8-methoxy-N-methylquinazolin-2-amine
PubChem CID23157885
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-cyclohexyl-8-methoxy-N-methylquinazolin-2-amine
SMILESCNc1ncc2c(C3CCCCC3)ccc(OC)c2n1
InChIInChI=1S/C16H21N3O/c1-17-16-18-10-13-12(11-6-4-3-5-7-11)8-9-14(20-2)15(13)19-16/h8-11H,3-7H2,1-2H3,(H,17,18,19)
InChIKeyCADROLUKPPVPJY-UHFFFAOYSA-N
XLogP3.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-8-methoxy-N-methylquinazolin-2-amine?
The IUPAC name of 5-cyclohexyl-8-methoxy-N-methylquinazolin-2-amine (CID 23157885) is 5-cyclohexyl-8-methoxy-N-methylquinazolin-2-amine.
What is the SMILES notation for 5-cyclohexyl-8-methoxy-N-methylquinazolin-2-amine?
The canonical SMILES for 5-cyclohexyl-8-methoxy-N-methylquinazolin-2-amine is CNc1ncc2c(C3CCCCC3)ccc(OC)c2n1.
What is the InChIKey of 5-cyclohexyl-8-methoxy-N-methylquinazolin-2-amine?
The InChIKey is CADROLUKPPVPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-17-16-18-10-13-12(11-6-4-3-5-7-11)8-9-14(20-2)15(13)19-16/h8-11H,3-7H2,1-2H3,(H,17,18,19).
What are the key properties of 5-cyclohexyl-8-methoxy-N-methylquinazolin-2-amine?
5-cyclohexyl-8-methoxy-N-methylquinazolin-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-8-methoxy-N-methylquinazolin-2-amine is sourced from PubChem (CID 23157885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).