N-(furan-2-ylmethyl)-N-methyl-6-pyridin-3-ylquinazolin-4-amine

C19H16N4O — CID 3233053

IUPACN-(furan-2-ylmethyl)-N-methyl-6-pyridin-3-ylquinazolin-4-amine
SMILESCN(Cc1ccco1)c1ncnc2ccc(-c3cccnc3)cc12
InChIInChI=1S/C19H16N4O/c1-23(12-16-5-3-9-24-16)19-17-10-14(15-4-2-8-20-11-15)6-7-18(17)21-13-22-19/h2-11,13H,12H2,1H3
InChIKeyKHPDSQFKRYYBJL-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.92
Rot. Bonds4

About N-(furan-2-ylmethyl)-N-methyl-6-pyridin-3-ylquinazolin-4-amine

N-(furan-2-ylmethyl)-N-methyl-6-pyridin-3-ylquinazolin-4-amine (PubChem CID 3233053) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-6-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-6-pyridin-3-ylquinazolin-4-amine
PubChem CID3233053
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-6-pyridin-3-ylquinazolin-4-amine
SMILESCN(Cc1ccco1)c1ncnc2ccc(-c3cccnc3)cc12
InChIInChI=1S/C19H16N4O/c1-23(12-16-5-3-9-24-16)19-17-10-14(15-4-2-8-20-11-15)6-7-18(17)21-13-22-19/h2-11,13H,12H2,1H3
InChIKeyKHPDSQFKRYYBJL-UHFFFAOYSA-N
XLogP3.92
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(furan-2-ylmethyl)-N-methyl-6-pyridin-3-ylquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-6-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-6-pyridin-3-ylquinazolin-4-amine (CID 3233053) is N-(furan-2-ylmethyl)-N-methyl-6-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-6-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-6-pyridin-3-ylquinazolin-4-amine is CN(Cc1ccco1)c1ncnc2ccc(-c3cccnc3)cc12.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-6-pyridin-3-ylquinazolin-4-amine?
The InChIKey is KHPDSQFKRYYBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-23(12-16-5-3-9-24-16)19-17-10-14(15-4-2-8-20-11-15)6-7-18(17)21-13-22-19/h2-11,13H,12H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-6-pyridin-3-ylquinazolin-4-amine?
N-(furan-2-ylmethyl)-N-methyl-6-pyridin-3-ylquinazolin-4-amine has a molecular weight of 316.36 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-6-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 3233053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).