2-imidazol-1-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine

C16H17N5O — CID 10017397

IUPAC2-imidazol-1-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine
SMILESc1ccc2c(NCC3CCCO3)nc(-n3ccnc3)nc2c1
InChIInChI=1S/C16H17N5O/c1-2-6-14-13(5-1)15(18-10-12-4-3-9-22-12)20-16(19-14)21-8-7-17-11-21/h1-2,5-8,11-12H,3-4,9-10H2,(H,18,19,20)
InChIKeyCBMSPFQWIFCZKC-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.41
Rot. Bonds4

About 2-imidazol-1-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine

2-imidazol-1-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine (PubChem CID 10017397) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine
PubChem CID10017397
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-imidazol-1-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine
SMILESc1ccc2c(NCC3CCCO3)nc(-n3ccnc3)nc2c1
InChIInChI=1S/C16H17N5O/c1-2-6-14-13(5-1)15(18-10-12-4-3-9-22-12)20-16(19-14)21-8-7-17-11-21/h1-2,5-8,11-12H,3-4,9-10H2,(H,18,19,20)
InChIKeyCBMSPFQWIFCZKC-UHFFFAOYSA-N
XLogP2.41
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-imidazol-1-yl-N-(oxolan-2-ylmethyl)quinazolin-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 2-imidazol-1-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-imidazol-1-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine (CID 10017397) is 2-imidazol-1-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-imidazol-1-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-imidazol-1-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine is c1ccc2c(NCC3CCCO3)nc(-n3ccnc3)nc2c1.
What is the InChIKey of 2-imidazol-1-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine?
The InChIKey is CBMSPFQWIFCZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-2-6-14-13(5-1)15(18-10-12-4-3-9-22-12)20-16(19-14)21-8-7-17-11-21/h1-2,5-8,11-12H,3-4,9-10H2,(H,18,19,20).
What are the key properties of 2-imidazol-1-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine?
2-imidazol-1-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine has a molecular weight of 295.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 10017397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).