1-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one

C20H20N4O3 — CID 164609567

IUPAC1-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(CC3CC3)c12
InChIInChI=1S/C20H20N4O3/c1-10-18(11(2)27-23-10)14-6-15-13(7-17(14)26-3)19-16(8-21-15)22-20(25)24(19)9-12-4-5-12/h6-8,12H,4-5,9H2,1-3H3,(H,22,25)
InChIKeyQUQHDVXLTLJNHF-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.57
Rot. Bonds4

About 1-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one

1-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 164609567) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID164609567
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(CC3CC3)c12
InChIInChI=1S/C20H20N4O3/c1-10-18(11(2)27-23-10)14-6-15-13(7-17(14)26-3)19-16(8-21-15)22-20(25)24(19)9-12-4-5-12/h6-8,12H,4-5,9H2,1-3H3,(H,22,25)
InChIKeyQUQHDVXLTLJNHF-UHFFFAOYSA-N
XLogP3.57
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one (CID 164609567) is 1-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one is COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(CC3CC3)c12.
What is the InChIKey of 1-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is QUQHDVXLTLJNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-10-18(11(2)27-23-10)14-6-15-13(7-17(14)26-3)19-16(8-21-15)22-20(25)24(19)9-12-4-5-12/h6-8,12H,4-5,9H2,1-3H3,(H,22,25).
What are the key properties of 1-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one?
1-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 364.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 164609567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).