3-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxypropanoic acid

C17H16ClN3O5 — CID 171562086

IUPAC3-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxypropanoic acid
SMILESCOc1cc2nc(Cl)nc(NCc3ccco3)c2cc1OCCC(=O)O
InChIInChI=1S/C17H16ClN3O5/c1-24-13-8-12-11(7-14(13)26-6-4-15(22)23)16(21-17(18)20-12)19-9-10-3-2-5-25-10/h2-3,5,7-8H,4,6,9H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyURMGYSXOWLITTA-UHFFFAOYSA-N
MW377.78 g/mol
LogP3.35
Rot. Bonds8

About 3-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxypropanoic acid

3-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxypropanoic acid (PubChem CID 171562086) has the molecular formula C17H16ClN3O5 and a molecular weight of 377.78 g/mol. Its IUPAC name is 3-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxypropanoic acid
PubChem CID171562086
Molecular FormulaC17H16ClN3O5
Molecular Weight377.78 g/mol
Exact Mass377.08
IUPAC Name3-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxypropanoic acid
SMILESCOc1cc2nc(Cl)nc(NCc3ccco3)c2cc1OCCC(=O)O
InChIInChI=1S/C17H16ClN3O5/c1-24-13-8-12-11(7-14(13)26-6-4-15(22)23)16(21-17(18)20-12)19-9-10-3-2-5-25-10/h2-3,5,7-8H,4,6,9H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyURMGYSXOWLITTA-UHFFFAOYSA-N
XLogP3.35
TPSA106.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.78
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxypropanoic acid with MolForge

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Related Compounds

2-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxyethanol
CID 171562096
2-chloro-6-ethoxy-N-(furan-2-ylmethyl)-7-methoxyquinazolin-4-amine
CID 171562089
2-chloro-N-(furan-2-ylmethyl)-6-methoxyquinazolin-4-amine
CID 171562066
6-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]hexanoic acid
CID 22693111
2-chloro-6-ethoxy-7-methoxy-N-methylquinazolin-4-amine
CID 114693438
2-[4-(furan-2-ylmethylamino)quinazolin-2-yl]-6-methoxyphenol
CID 661722
2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol
CID 171561832
3-[4-[(3-bromophenyl)methylamino]-6-methoxy-2-methylquinazolin-7-yl]oxy-N-methoxy-N-methylpropanamide
CID 171600533
[4-[4-(benzylamino)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 44523465
2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-3-phenylpropanoic acid
CID 22693097
2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide
CID 134480903
methyl 5-chloro-2-(3-fluoro-4-methoxyphenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate
CID 67094420

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxypropanoic acid?
The IUPAC name of 3-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxypropanoic acid (CID 171562086) is 3-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxypropanoic acid.
What is the SMILES notation for 3-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxypropanoic acid?
The canonical SMILES for 3-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxypropanoic acid is COc1cc2nc(Cl)nc(NCc3ccco3)c2cc1OCCC(=O)O.
What is the InChIKey of 3-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxypropanoic acid?
The InChIKey is URMGYSXOWLITTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O5/c1-24-13-8-12-11(7-14(13)26-6-4-15(22)23)16(21-17(18)20-12)19-9-10-3-2-5-25-10/h2-3,5,7-8H,4,6,9H2,1H3,(H,22,23)(H,19,20,21).
What are the key properties of 3-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxypropanoic acid?
3-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxypropanoic acid has a molecular weight of 377.78 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxypropanoic acid is sourced from PubChem (CID 171562086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).