N-(furan-3-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine

C18H18N4O — CID 45205825

IUPACN-(furan-3-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESc1cncc(-c2ncc3c(n2)CCCC3NCc2ccoc2)c1
InChIInChI=1S/C18H18N4O/c1-4-16(20-9-13-6-8-23-12-13)15-11-21-18(22-17(15)5-1)14-3-2-7-19-10-14/h2-3,6-8,10-12,16,20H,1,4-5,9H2
InChIKeyHLBZMGTVDFCIIF-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.30
Rot. Bonds4

About N-(furan-3-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine

N-(furan-3-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 45205825) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID45205825
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-(furan-3-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESc1cncc(-c2ncc3c(n2)CCCC3NCc2ccoc2)c1
InChIInChI=1S/C18H18N4O/c1-4-16(20-9-13-6-8-23-12-13)15-11-21-18(22-17(15)5-1)14-3-2-7-19-10-14/h2-3,6-8,10-12,16,20H,1,4-5,9H2
InChIKeyHLBZMGTVDFCIIF-UHFFFAOYSA-N
XLogP3.30
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(furan-3-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-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-3-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of N-(furan-3-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine (CID 45205825) is N-(furan-3-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine is c1cncc(-c2ncc3c(n2)CCCC3NCc2ccoc2)c1.
What is the InChIKey of N-(furan-3-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is HLBZMGTVDFCIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-4-16(20-9-13-6-8-23-12-13)15-11-21-18(22-17(15)5-1)14-3-2-7-19-10-14/h2-3,6-8,10-12,16,20H,1,4-5,9H2.
What are the key properties of N-(furan-3-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine?
N-(furan-3-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 306.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 45205825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).