5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylic acid

C18H15N5O3 — CID 44968266

IUPAC5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc3ncnc(NCCc4cnc[nH]4)c3c2)o1
InChIInChI=1S/C18H15N5O3/c24-18(25)16-4-3-15(26-16)11-1-2-14-13(7-11)17(23-10-22-14)20-6-5-12-8-19-9-21-12/h1-4,7-10H,5-6H2,(H,19,21)(H,24,25)(H,20,22,23)
InChIKeyUKPQDWKPQHPFSH-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.97
Rot. Bonds6

About 5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylic acid

5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylic acid (PubChem CID 44968266) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is 5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylic acid
PubChem CID44968266
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC Name5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc3ncnc(NCCc4cnc[nH]4)c3c2)o1
InChIInChI=1S/C18H15N5O3/c24-18(25)16-4-3-15(26-16)11-1-2-14-13(7-11)17(23-10-22-14)20-6-5-12-8-19-9-21-12/h1-4,7-10H,5-6H2,(H,19,21)(H,24,25)(H,20,22,23)
InChIKeyUKPQDWKPQHPFSH-UHFFFAOYSA-N
XLogP2.97
TPSA116.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylic acid?
The IUPAC name of 5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylic acid (CID 44968266) is 5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylic acid?
The canonical SMILES for 5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylic acid is O=C(O)c1ccc(-c2ccc3ncnc(NCCc4cnc[nH]4)c3c2)o1.
What is the InChIKey of 5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylic acid?
The InChIKey is UKPQDWKPQHPFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3/c24-18(25)16-4-3-15(26-16)11-1-2-14-13(7-11)17(23-10-22-14)20-6-5-12-8-19-9-21-12/h1-4,7-10H,5-6H2,(H,19,21)(H,24,25)(H,20,22,23).
What are the key properties of 5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylic acid?
5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylic acid has a molecular weight of 349.35 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylic acid is sourced from PubChem (CID 44968266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).