N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-7-methoxyquinazolin-4-amine

C18H23N3O — CID 21003164

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-7-methoxyquinazolin-4-amine
SMILESCOc1ccc2c(NC(C)C3CC4CCC3C4)ncnc2c1
InChIInChI=1S/C18H23N3O/c1-11(16-8-12-3-4-13(16)7-12)21-18-15-6-5-14(22-2)9-17(15)19-10-20-18/h5-6,9-13,16H,3-4,7-8H2,1-2H3,(H,19,20,21)
InChIKeyYNBLNGAQVCBTNK-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.88
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-7-methoxyquinazolin-4-amine

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-7-methoxyquinazolin-4-amine (PubChem CID 21003164) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-7-methoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-7-methoxyquinazolin-4-amine
PubChem CID21003164
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-7-methoxyquinazolin-4-amine
SMILESCOc1ccc2c(NC(C)C3CC4CCC3C4)ncnc2c1
InChIInChI=1S/C18H23N3O/c1-11(16-8-12-3-4-13(16)7-12)21-18-15-6-5-14(22-2)9-17(15)19-10-20-18/h5-6,9-13,16H,3-4,7-8H2,1-2H3,(H,19,20,21)
InChIKeyYNBLNGAQVCBTNK-UHFFFAOYSA-N
XLogP3.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-7-methoxyquinazolin-4-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-7-methoxyquinazolin-4-amine (CID 21003164) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-7-methoxyquinazolin-4-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-7-methoxyquinazolin-4-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-7-methoxyquinazolin-4-amine is COc1ccc2c(NC(C)C3CC4CCC3C4)ncnc2c1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-7-methoxyquinazolin-4-amine?
The InChIKey is YNBLNGAQVCBTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-11(16-8-12-3-4-13(16)7-12)21-18-15-6-5-14(22-2)9-17(15)19-10-20-18/h5-6,9-13,16H,3-4,7-8H2,1-2H3,(H,19,20,21).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-7-methoxyquinazolin-4-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-7-methoxyquinazolin-4-amine has a molecular weight of 297.40 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-7-methoxyquinazolin-4-amine is sourced from PubChem (CID 21003164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).