2-chloro-N-methylquinazolin-4-amine;methylcyclohexane

C16H22ClN3 — CID 142985930

IUPAC2-chloro-N-methylquinazolin-4-amine;methylcyclohexane
SMILESCC1CCCCC1.CNc1nc(Cl)nc2ccccc12
InChIInChI=1S/C9H8ClN3.C7H14/c1-11-8-6-4-2-3-5-7(6)12-9(10)13-8;1-7-5-3-2-4-6-7/h2-5H,1H3,(H,11,12,13);7H,2-6H2,1H3
InChIKeyIYKDDZGIDVDOBG-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.91
Rot. Bonds1

About 2-chloro-N-methylquinazolin-4-amine;methylcyclohexane

2-chloro-N-methylquinazolin-4-amine;methylcyclohexane (PubChem CID 142985930) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 2-chloro-N-methylquinazolin-4-amine;methylcyclohexane.

Molecular Properties

Compound Name2-chloro-N-methylquinazolin-4-amine;methylcyclohexane
PubChem CID142985930
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name2-chloro-N-methylquinazolin-4-amine;methylcyclohexane
SMILESCC1CCCCC1.CNc1nc(Cl)nc2ccccc12
InChIInChI=1S/C9H8ClN3.C7H14/c1-11-8-6-4-2-3-5-7(6)12-9(10)13-8;1-7-5-3-2-4-6-7/h2-5H,1H3,(H,11,12,13);7H,2-6H2,1H3
InChIKeyIYKDDZGIDVDOBG-UHFFFAOYSA-N
XLogP4.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methylquinazolin-4-amine;methylcyclohexane?
The IUPAC name of 2-chloro-N-methylquinazolin-4-amine;methylcyclohexane (CID 142985930) is 2-chloro-N-methylquinazolin-4-amine;methylcyclohexane.
What is the SMILES notation for 2-chloro-N-methylquinazolin-4-amine;methylcyclohexane?
The canonical SMILES for 2-chloro-N-methylquinazolin-4-amine;methylcyclohexane is CC1CCCCC1.CNc1nc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-methylquinazolin-4-amine;methylcyclohexane?
The InChIKey is IYKDDZGIDVDOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3.C7H14/c1-11-8-6-4-2-3-5-7(6)12-9(10)13-8;1-7-5-3-2-4-6-7/h2-5H,1H3,(H,11,12,13);7H,2-6H2,1H3.
What are the key properties of 2-chloro-N-methylquinazolin-4-amine;methylcyclohexane?
2-chloro-N-methylquinazolin-4-amine;methylcyclohexane has a molecular weight of 291.83 g/mol, XLogP of 4.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methylquinazolin-4-amine;methylcyclohexane is sourced from PubChem (CID 142985930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).