2-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxyethanol

C16H16ClN3O4 — CID 171562096

IUPAC2-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxyethanol
SMILESCOc1cc2nc(Cl)nc(NCc3ccco3)c2cc1OCCO
InChIInChI=1S/C16H16ClN3O4/c1-22-13-8-12-11(7-14(13)24-6-4-21)15(20-16(17)19-12)18-9-10-3-2-5-23-10/h2-3,5,7-8,21H,4,6,9H2,1H3,(H,18,19,20)
InChIKeyVKQXGDICWBRLDJ-UHFFFAOYSA-N
MW349.77 g/mol
LogP2.87
Rot. Bonds7

About 2-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxyethanol

2-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxyethanol (PubChem CID 171562096) has the molecular formula C16H16ClN3O4 and a molecular weight of 349.77 g/mol. Its IUPAC name is 2-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxyethanol.

Molecular Properties

Compound Name2-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxyethanol
PubChem CID171562096
Molecular FormulaC16H16ClN3O4
Molecular Weight349.77 g/mol
Exact Mass349.08
IUPAC Name2-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxyethanol
SMILESCOc1cc2nc(Cl)nc(NCc3ccco3)c2cc1OCCO
InChIInChI=1S/C16H16ClN3O4/c1-22-13-8-12-11(7-14(13)24-6-4-21)15(20-16(17)19-12)18-9-10-3-2-5-23-10/h2-3,5,7-8,21H,4,6,9H2,1H3,(H,18,19,20)
InChIKeyVKQXGDICWBRLDJ-UHFFFAOYSA-N
XLogP2.87
TPSA89.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-6-ethoxy-N-(furan-2-ylmethyl)-7-methoxyquinazolin-4-amine
CID 171562089
3-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxypropanoic acid
CID 171562086
2-chloro-N-(furan-2-ylmethyl)-6-methoxyquinazolin-4-amine
CID 171562066
2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol
CID 134480627
2-[4-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]ethanol;hydrochloride
CID 17213191
2-chloro-6-ethoxy-7-methoxy-N-methylquinazolin-4-amine
CID 114693438
2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol
CID 171561832
2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 134480566
N-butyl-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22692586
2-chloro-N-(cyclopropylmethyl)-6,7-dimethoxyquinazolin-4-amine
CID 91756722
2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine
CID 7147199
2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide
CID 134480903

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxyethanol?
The IUPAC name of 2-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxyethanol (CID 171562096) is 2-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxyethanol.
What is the SMILES notation for 2-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxyethanol?
The canonical SMILES for 2-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxyethanol is COc1cc2nc(Cl)nc(NCc3ccco3)c2cc1OCCO.
What is the InChIKey of 2-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxyethanol?
The InChIKey is VKQXGDICWBRLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4/c1-22-13-8-12-11(7-14(13)24-6-4-21)15(20-16(17)19-12)18-9-10-3-2-5-23-10/h2-3,5,7-8,21H,4,6,9H2,1H3,(H,18,19,20).
What are the key properties of 2-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxyethanol?
2-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxyethanol has a molecular weight of 349.77 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxyethanol is sourced from PubChem (CID 171562096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).