8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-4-(4-methyloxan-4-yl)-1H-imidazo[4,5-c]quinolin-2-one

C27H33N5O3 — CID 118498614

IUPAC8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-4-(4-methyloxan-4-yl)-1H-imidazo[4,5-c]quinolin-2-one
SMILESCN(C)CCCOc1ccc(-c2ccc3nc(C4(C)CCOCC4)c4c([nH]c(=O)n4C)c3c2)cn1
InChIInChI=1S/C27H33N5O3/c1-27(10-14-34-15-11-27)25-24-23(30-26(33)32(24)4)20-16-18(6-8-21(20)29-25)19-7-9-22(28-17-19)35-13-5-12-31(2)3/h6-9,16-17H,5,10-15H2,1-4H3,(H,30,33)
InChIKeyMJXYSCOFNYCUGH-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.88
Rot. Bonds7

About 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-4-(4-methyloxan-4-yl)-1H-imidazo[4,5-c]quinolin-2-one

8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-4-(4-methyloxan-4-yl)-1H-imidazo[4,5-c]quinolin-2-one (PubChem CID 118498614) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-4-(4-methyloxan-4-yl)-1H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-4-(4-methyloxan-4-yl)-1H-imidazo[4,5-c]quinolin-2-one
PubChem CID118498614
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC Name8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-4-(4-methyloxan-4-yl)-1H-imidazo[4,5-c]quinolin-2-one
SMILESCN(C)CCCOc1ccc(-c2ccc3nc(C4(C)CCOCC4)c4c([nH]c(=O)n4C)c3c2)cn1
InChIInChI=1S/C27H33N5O3/c1-27(10-14-34-15-11-27)25-24-23(30-26(33)32(24)4)20-16-18(6-8-21(20)29-25)19-7-9-22(28-17-19)35-13-5-12-31(2)3/h6-9,16-17H,5,10-15H2,1-4H3,(H,30,33)
InChIKeyMJXYSCOFNYCUGH-UHFFFAOYSA-N
XLogP3.88
TPSA85.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-4-(4-methyloxan-4-yl)-1H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-4-(4-methyloxan-4-yl)-1H-imidazo[4,5-c]quinolin-2-one (CID 118498614) is 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-4-(4-methyloxan-4-yl)-1H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-4-(4-methyloxan-4-yl)-1H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-4-(4-methyloxan-4-yl)-1H-imidazo[4,5-c]quinolin-2-one is CN(C)CCCOc1ccc(-c2ccc3nc(C4(C)CCOCC4)c4c([nH]c(=O)n4C)c3c2)cn1.
What is the InChIKey of 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-4-(4-methyloxan-4-yl)-1H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is MJXYSCOFNYCUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-27(10-14-34-15-11-27)25-24-23(30-26(33)32(24)4)20-16-18(6-8-21(20)29-25)19-7-9-22(28-17-19)35-13-5-12-31(2)3/h6-9,16-17H,5,10-15H2,1-4H3,(H,30,33).
What are the key properties of 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-4-(4-methyloxan-4-yl)-1H-imidazo[4,5-c]quinolin-2-one?
8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-4-(4-methyloxan-4-yl)-1H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 475.59 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-4-(4-methyloxan-4-yl)-1H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118498614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).