5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-carboxylic acid

C19H15N3O4 — CID 46916169

IUPAC5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-carboxylic acid
SMILESCc1ccc(CNc2ncnc3ccc(-c4ccc(C(=O)O)o4)cc23)o1
InChIInChI=1S/C19H15N3O4/c1-11-2-4-13(25-11)9-20-18-14-8-12(3-5-15(14)21-10-22-18)16-6-7-17(26-16)19(23)24/h2-8,10H,9H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyYEJQKCNMELQRPL-UHFFFAOYSA-N
MW349.35 g/mol
LogP4.10
Rot. Bonds5

About 5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-carboxylic acid

5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-carboxylic acid (PubChem CID 46916169) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-carboxylic acid
PubChem CID46916169
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-carboxylic acid
SMILESCc1ccc(CNc2ncnc3ccc(-c4ccc(C(=O)O)o4)cc23)o1
InChIInChI=1S/C19H15N3O4/c1-11-2-4-13(25-11)9-20-18-14-8-12(3-5-15(14)21-10-22-18)16-6-7-17(26-16)19(23)24/h2-8,10H,9H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyYEJQKCNMELQRPL-UHFFFAOYSA-N
XLogP4.10
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-carboxylic acid?
The IUPAC name of 5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-carboxylic acid (CID 46916169) is 5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-carboxylic acid?
The canonical SMILES for 5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-carboxylic acid is Cc1ccc(CNc2ncnc3ccc(-c4ccc(C(=O)O)o4)cc23)o1.
What is the InChIKey of 5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-carboxylic acid?
The InChIKey is YEJQKCNMELQRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-11-2-4-13(25-11)9-20-18-14-8-12(3-5-15(14)21-10-22-18)16-6-7-17(26-16)19(23)24/h2-8,10H,9H2,1H3,(H,23,24)(H,20,21,22).
What are the key properties of 5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-carboxylic acid?
5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-carboxylic acid has a molecular weight of 349.35 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-carboxylic acid is sourced from PubChem (CID 46916169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).