2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)furo[3,2-d]pyrimidine

C16H14ClN3O2 — CID 134611710

IUPAC2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)furo[3,2-d]pyrimidine
SMILESCOc1ccc2c(c1)CCCN2c1nc(Cl)nc2ccoc12
InChIInChI=1S/C16H14ClN3O2/c1-21-11-4-5-13-10(9-11)3-2-7-20(13)15-14-12(6-8-22-14)18-16(17)19-15/h4-6,8-9H,2-3,7H2,1H3
InChIKeyOHDPJCAMZXLYKM-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.97
Rot. Bonds2

About 2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)furo[3,2-d]pyrimidine

2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)furo[3,2-d]pyrimidine (PubChem CID 134611710) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)furo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)furo[3,2-d]pyrimidine
PubChem CID134611710
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)furo[3,2-d]pyrimidine
SMILESCOc1ccc2c(c1)CCCN2c1nc(Cl)nc2ccoc12
InChIInChI=1S/C16H14ClN3O2/c1-21-11-4-5-13-10(9-11)3-2-7-20(13)15-14-12(6-8-22-14)18-16(17)19-15/h4-6,8-9H,2-3,7H2,1H3
InChIKeyOHDPJCAMZXLYKM-UHFFFAOYSA-N
XLogP3.97
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)furo[3,2-d]pyrimidine?
The IUPAC name of 2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)furo[3,2-d]pyrimidine (CID 134611710) is 2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)furo[3,2-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)furo[3,2-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)furo[3,2-d]pyrimidine is COc1ccc2c(c1)CCCN2c1nc(Cl)nc2ccoc12.
What is the InChIKey of 2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)furo[3,2-d]pyrimidine?
The InChIKey is OHDPJCAMZXLYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-21-11-4-5-13-10(9-11)3-2-7-20(13)15-14-12(6-8-22-14)18-16(17)19-15/h4-6,8-9H,2-3,7H2,1H3.
What are the key properties of 2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)furo[3,2-d]pyrimidine?
2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)furo[3,2-d]pyrimidine has a molecular weight of 315.76 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)furo[3,2-d]pyrimidine is sourced from PubChem (CID 134611710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).