N-cyclohexyl-2-pyridin-3-ylquinazolin-4-amine

C19H20N4 — CID 873720

IUPACN-cyclohexyl-2-pyridin-3-ylquinazolin-4-amine
SMILESc1cncc(-c2nc(NC3CCCCC3)c3ccccc3n2)c1
InChIInChI=1S/C19H20N4/c1-2-8-15(9-3-1)21-19-16-10-4-5-11-17(16)22-18(23-19)14-7-6-12-20-13-14/h4-7,10-13,15H,1-3,8-9H2,(H,21,22,23)
InChIKeyVTJDAALCLRKSIX-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.44
Rot. Bonds3

About N-cyclohexyl-2-pyridin-3-ylquinazolin-4-amine

N-cyclohexyl-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 873720) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is N-cyclohexyl-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-2-pyridin-3-ylquinazolin-4-amine
PubChem CID873720
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC NameN-cyclohexyl-2-pyridin-3-ylquinazolin-4-amine
SMILESc1cncc(-c2nc(NC3CCCCC3)c3ccccc3n2)c1
InChIInChI=1S/C19H20N4/c1-2-8-15(9-3-1)21-19-16-10-4-5-11-17(16)22-18(23-19)14-7-6-12-20-13-14/h4-7,10-13,15H,1-3,8-9H2,(H,21,22,23)
InChIKeyVTJDAALCLRKSIX-UHFFFAOYSA-N
XLogP4.44
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-cyclohexyl-2-pyridin-3-ylquinazolin-4-amine (CID 873720) is N-cyclohexyl-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-cyclohexyl-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-cyclohexyl-2-pyridin-3-ylquinazolin-4-amine is c1cncc(-c2nc(NC3CCCCC3)c3ccccc3n2)c1.
What is the InChIKey of N-cyclohexyl-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is VTJDAALCLRKSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-2-8-15(9-3-1)21-19-16-10-4-5-11-17(16)22-18(23-19)14-7-6-12-20-13-14/h4-7,10-13,15H,1-3,8-9H2,(H,21,22,23).
What are the key properties of N-cyclohexyl-2-pyridin-3-ylquinazolin-4-amine?
N-cyclohexyl-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 304.40 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 873720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).