2-[(7-chloroquinazolin-4-yl)amino]-1-(furan-2-yl)ethanol

C14H12ClN3O2 — CID 110889677

IUPAC2-[(7-chloroquinazolin-4-yl)amino]-1-(furan-2-yl)ethanol
SMILESOC(CNc1ncnc2cc(Cl)ccc12)c1ccco1
InChIInChI=1S/C14H12ClN3O2/c15-9-3-4-10-11(6-9)17-8-18-14(10)16-7-12(19)13-2-1-5-20-13/h1-6,8,12,19H,7H2,(H,16,17,18)
InChIKeyATCCRLRGFCBXCB-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.02
Rot. Bonds4

About 2-[(7-chloroquinazolin-4-yl)amino]-1-(furan-2-yl)ethanol

2-[(7-chloroquinazolin-4-yl)amino]-1-(furan-2-yl)ethanol (PubChem CID 110889677) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 2-[(7-chloroquinazolin-4-yl)amino]-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name2-[(7-chloroquinazolin-4-yl)amino]-1-(furan-2-yl)ethanol
PubChem CID110889677
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name2-[(7-chloroquinazolin-4-yl)amino]-1-(furan-2-yl)ethanol
SMILESOC(CNc1ncnc2cc(Cl)ccc12)c1ccco1
InChIInChI=1S/C14H12ClN3O2/c15-9-3-4-10-11(6-9)17-8-18-14(10)16-7-12(19)13-2-1-5-20-13/h1-6,8,12,19H,7H2,(H,16,17,18)
InChIKeyATCCRLRGFCBXCB-UHFFFAOYSA-N
XLogP3.02
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(7-chloroquinazolin-4-yl)amino]-1-(furan-2-yl)ethanol with MolForge

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Related Compounds

2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)ethanol
CID 133396318
2-[(7-chloroquinazolin-4-yl)amino]-1-cyclopentylethanol
CID 133307011
7-chloro-N-[2-(3-chlorophenyl)propyl]quinazolin-4-amine
CID 166321938
1-N-(7-chloroquinazolin-4-yl)-2-N-phenylpropane-1,2-diamine
CID 133346889
7-chloro-N-(3-methylbutyl)quinazolin-4-amine;ethane
CID 156733545
7-chloro-N-[(2,4-dichlorophenyl)methyl]quinazolin-4-amine
CID 1490538
(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol
CID 93317181
2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol
CID 86910047
ethyl 3-[(7-chloroquinazolin-4-yl)amino]propanoate
CID 51126402
7-chloro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine
CID 91647410
N'-(7-fluoro-6-methoxyquinazolin-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 133475530
1-(azetidin-1-yl)-2-[(7-chloroquinazolin-4-yl)amino]ethanone;difluoromethane
CID 178127443

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloroquinazolin-4-yl)amino]-1-(furan-2-yl)ethanol?
The IUPAC name of 2-[(7-chloroquinazolin-4-yl)amino]-1-(furan-2-yl)ethanol (CID 110889677) is 2-[(7-chloroquinazolin-4-yl)amino]-1-(furan-2-yl)ethanol.
What is the SMILES notation for 2-[(7-chloroquinazolin-4-yl)amino]-1-(furan-2-yl)ethanol?
The canonical SMILES for 2-[(7-chloroquinazolin-4-yl)amino]-1-(furan-2-yl)ethanol is OC(CNc1ncnc2cc(Cl)ccc12)c1ccco1.
What is the InChIKey of 2-[(7-chloroquinazolin-4-yl)amino]-1-(furan-2-yl)ethanol?
The InChIKey is ATCCRLRGFCBXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c15-9-3-4-10-11(6-9)17-8-18-14(10)16-7-12(19)13-2-1-5-20-13/h1-6,8,12,19H,7H2,(H,16,17,18).
What are the key properties of 2-[(7-chloroquinazolin-4-yl)amino]-1-(furan-2-yl)ethanol?
2-[(7-chloroquinazolin-4-yl)amino]-1-(furan-2-yl)ethanol has a molecular weight of 289.72 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloroquinazolin-4-yl)amino]-1-(furan-2-yl)ethanol is sourced from PubChem (CID 110889677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).