2-chloro-N-(cyclopropylmethyl)-6,7-dimethoxyquinazolin-4-amine

C14H16ClN3O2 — CID 91756722

IUPAC2-chloro-N-(cyclopropylmethyl)-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(Cl)nc(NCC3CC3)c2cc1OC
InChIInChI=1S/C14H16ClN3O2/c1-19-11-5-9-10(6-12(11)20-2)17-14(15)18-13(9)16-7-8-3-4-8/h5-6,8H,3-4,7H2,1-2H3,(H,16,17,18)
InChIKeyFCUZGIKNCDWKQT-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.12
Rot. Bonds5

About 2-chloro-N-(cyclopropylmethyl)-6,7-dimethoxyquinazolin-4-amine

2-chloro-N-(cyclopropylmethyl)-6,7-dimethoxyquinazolin-4-amine (PubChem CID 91756722) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-chloro-N-(cyclopropylmethyl)-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(cyclopropylmethyl)-6,7-dimethoxyquinazolin-4-amine
PubChem CID91756722
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name2-chloro-N-(cyclopropylmethyl)-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(Cl)nc(NCC3CC3)c2cc1OC
InChIInChI=1S/C14H16ClN3O2/c1-19-11-5-9-10(6-12(11)20-2)17-14(15)18-13(9)16-7-8-3-4-8/h5-6,8H,3-4,7H2,1-2H3,(H,16,17,18)
InChIKeyFCUZGIKNCDWKQT-UHFFFAOYSA-N
XLogP3.12
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclopropylmethyl)-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of 2-chloro-N-(cyclopropylmethyl)-6,7-dimethoxyquinazolin-4-amine (CID 91756722) is 2-chloro-N-(cyclopropylmethyl)-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-(cyclopropylmethyl)-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for 2-chloro-N-(cyclopropylmethyl)-6,7-dimethoxyquinazolin-4-amine is COc1cc2nc(Cl)nc(NCC3CC3)c2cc1OC.
What is the InChIKey of 2-chloro-N-(cyclopropylmethyl)-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is FCUZGIKNCDWKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-19-11-5-9-10(6-12(11)20-2)17-14(15)18-13(9)16-7-8-3-4-8/h5-6,8H,3-4,7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-chloro-N-(cyclopropylmethyl)-6,7-dimethoxyquinazolin-4-amine?
2-chloro-N-(cyclopropylmethyl)-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 293.75 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclopropylmethyl)-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 91756722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).