4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidine

C17H18N4O2 — CID 134611711

IUPAC4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCOc1ccc2c(c1)CCCN2c1nc(C)nc2onc(C)c12
InChIInChI=1S/C17H18N4O2/c1-10-15-16(18-11(2)19-17(15)23-20-10)21-8-4-5-12-9-13(22-3)6-7-14(12)21/h6-7,9H,4-5,8H2,1-3H3
InChIKeyCCPOZSSQYAHSEH-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.33
Rot. Bonds2

About 4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidine

4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidine (PubChem CID 134611711) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidine
PubChem CID134611711
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCOc1ccc2c(c1)CCCN2c1nc(C)nc2onc(C)c12
InChIInChI=1S/C17H18N4O2/c1-10-15-16(18-11(2)19-17(15)23-20-10)21-8-4-5-12-9-13(22-3)6-7-14(12)21/h6-7,9H,4-5,8H2,1-3H3
InChIKeyCCPOZSSQYAHSEH-UHFFFAOYSA-N
XLogP3.33
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidine (CID 134611711) is 4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidine is COc1ccc2c(c1)CCCN2c1nc(C)nc2onc(C)c12.
What is the InChIKey of 4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidine?
The InChIKey is CCPOZSSQYAHSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-10-15-16(18-11(2)19-17(15)23-20-10)21-8-4-5-12-9-13(22-3)6-7-14(12)21/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidine?
4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidine has a molecular weight of 310.36 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 134611711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).