5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylic acid

C18H17N3O4 — CID 46916183

IUPAC5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc3ncnc(NCC4CCCO4)c3c2)o1
InChIInChI=1S/C18H17N3O4/c22-18(23)16-6-5-15(25-16)11-3-4-14-13(8-11)17(21-10-20-14)19-9-12-2-1-7-24-12/h3-6,8,10,12H,1-2,7,9H2,(H,22,23)(H,19,20,21)
InChIKeyUNRGMDFGOBNOBE-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.18
Rot. Bonds5

About 5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylic acid

5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylic acid (PubChem CID 46916183) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylic acid
PubChem CID46916183
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc3ncnc(NCC4CCCO4)c3c2)o1
InChIInChI=1S/C18H17N3O4/c22-18(23)16-6-5-15(25-16)11-3-4-14-13(8-11)17(21-10-20-14)19-9-12-2-1-7-24-12/h3-6,8,10,12H,1-2,7,9H2,(H,22,23)(H,19,20,21)
InChIKeyUNRGMDFGOBNOBE-UHFFFAOYSA-N
XLogP3.18
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-(oxolan-2-ylmethylamino)quinazoline-7-carboxylic acid
CID 16641766
N-(oxolan-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
CID 44968192
5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylic acid
CID 44968266
6-fluoro-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
CID 59987540
4-(1,4-dioxan-2-ylmethylamino)quinazoline-7-carboxylic acid
CID 63263613
6-(4-fluorophenyl)-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 155728566
5-(oxan-2-ylmethylamino)furan-2-carboxylic acid
CID 62206731
ethyl 5-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinazolin-6-yl]furan-2-carboxylate
CID 44968259
N-(oxolan-2-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2952887
4-N-(1,4-dioxan-2-ylmethyl)quinazoline-4,6-diamine
CID 64587294
3-ethyl-8-(oxolan-2-ylmethylamino)-1H-imidazo[4,5-g]quinazoline-2-thione
CID 57041769
3-chloro-2-(oxolan-2-ylmethylamino)pyridine-4-carboxylic acid
CID 107061826

Frequently Asked Questions

What is the IUPAC name of 5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylic acid?
The IUPAC name of 5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylic acid (CID 46916183) is 5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylic acid?
The canonical SMILES for 5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylic acid is O=C(O)c1ccc(-c2ccc3ncnc(NCC4CCCO4)c3c2)o1.
What is the InChIKey of 5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylic acid?
The InChIKey is UNRGMDFGOBNOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c22-18(23)16-6-5-15(25-16)11-3-4-14-13(8-11)17(21-10-20-14)19-9-12-2-1-7-24-12/h3-6,8,10,12H,1-2,7,9H2,(H,22,23)(H,19,20,21).
What are the key properties of 5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylic acid?
5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylic acid has a molecular weight of 339.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylic acid is sourced from PubChem (CID 46916183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).