7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-amine

C26H28N6O3 — CID 66571469

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-amine
SMILESCOCCNc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)c1ccccn1
InChIInChI=1S/C26H28N6O3/c1-15-24(17(3)35-31-15)19-12-21-18(13-23(19)34-5)25-22(14-29-21)30-26(28-10-11-33-4)32(25)16(2)20-8-6-7-9-27-20/h6-9,12-14,16H,10-11H2,1-5H3,(H,28,30)/t16-/m1/s1
InChIKeyVNTLEGVQLWKYEU-MRXNPFEDSA-N
MW472.55 g/mol
LogP4.93
Rot. Bonds8

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-amine

7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-amine (PubChem CID 66571469) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-amine.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-amine
PubChem CID66571469
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-amine
SMILESCOCCNc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)c1ccccn1
InChIInChI=1S/C26H28N6O3/c1-15-24(17(3)35-31-15)19-12-21-18(13-23(19)34-5)25-22(14-29-21)30-26(28-10-11-33-4)32(25)16(2)20-8-6-7-9-27-20/h6-9,12-14,16H,10-11H2,1-5H3,(H,28,30)/t16-/m1/s1
InChIKeyVNTLEGVQLWKYEU-MRXNPFEDSA-N
XLogP4.93
TPSA100.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-amine?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-amine (CID 66571469) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-amine.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-amine?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-amine is COCCNc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)c1ccccn1.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-amine?
The InChIKey is VNTLEGVQLWKYEU-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-15-24(17(3)35-31-15)19-12-21-18(13-23(19)34-5)25-22(14-29-21)30-26(28-10-11-33-4)32(25)16(2)20-8-6-7-9-27-20/h6-9,12-14,16H,10-11H2,1-5H3,(H,28,30)/t16-/m1/s1.
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-amine?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-amine has a molecular weight of 472.55 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(2-methoxyethyl)-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-2-amine is sourced from PubChem (CID 66571469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).