N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloroquinazolin-4-amine

C16H18ClN3 — CID 63687023

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloroquinazolin-4-amine
SMILESClc1nc(NCC2CC3CCC2C3)c2ccccc2n1
InChIInChI=1S/C16H18ClN3/c17-16-19-14-4-2-1-3-13(14)15(20-16)18-9-12-8-10-5-6-11(12)7-10/h1-4,10-12H,5-9H2,(H,18,19,20)
InChIKeyDIKVAGVQIPQMBB-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.13
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloroquinazolin-4-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloroquinazolin-4-amine (PubChem CID 63687023) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloroquinazolin-4-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloroquinazolin-4-amine
PubChem CID63687023
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloroquinazolin-4-amine
SMILESClc1nc(NCC2CC3CCC2C3)c2ccccc2n1
InChIInChI=1S/C16H18ClN3/c17-16-19-14-4-2-1-3-13(14)15(20-16)18-9-12-8-10-5-6-11(12)7-10/h1-4,10-12H,5-9H2,(H,18,19,20)
InChIKeyDIKVAGVQIPQMBB-UHFFFAOYSA-N
XLogP4.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloroquinazolin-4-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloroquinazolin-4-amine (CID 63687023) is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloroquinazolin-4-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloroquinazolin-4-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloroquinazolin-4-amine is Clc1nc(NCC2CC3CCC2C3)c2ccccc2n1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloroquinazolin-4-amine?
The InChIKey is DIKVAGVQIPQMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c17-16-19-14-4-2-1-3-13(14)15(20-16)18-9-12-8-10-5-6-11(12)7-10/h1-4,10-12H,5-9H2,(H,18,19,20).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloroquinazolin-4-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloroquinazolin-4-amine has a molecular weight of 287.79 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloroquinazolin-4-amine is sourced from PubChem (CID 63687023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).