8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one

C24H29N5O2 — CID 126689215

IUPAC8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one
SMILESCC(C)n1c(=O)n(C)c2cnc3ccc(-c4ccc(OCCCN(C)C)nc4)cc3c21
InChIInChI=1S/C24H29N5O2/c1-16(2)29-23-19-13-17(7-9-20(19)25-15-21(23)28(5)24(29)30)18-8-10-22(26-14-18)31-12-6-11-27(3)4/h7-10,13-16H,6,11-12H2,1-5H3
InChIKeyFBYDIXCPNMJMEZ-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.86
Rot. Bonds7

About 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one

8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one (PubChem CID 126689215) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one
PubChem CID126689215
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one
SMILESCC(C)n1c(=O)n(C)c2cnc3ccc(-c4ccc(OCCCN(C)C)nc4)cc3c21
InChIInChI=1S/C24H29N5O2/c1-16(2)29-23-19-13-17(7-9-20(19)25-15-21(23)28(5)24(29)30)18-8-10-22(26-14-18)31-12-6-11-27(3)4/h7-10,13-16H,6,11-12H2,1-5H3
InChIKeyFBYDIXCPNMJMEZ-UHFFFAOYSA-N
XLogP3.86
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one with MolForge

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Related Compounds

Azd-0156
CID 118502708
Azd-1390
CID 126689157
Samotolisib
CID 57519748
BGT-226 free base
CID 11978790
1-(1-Acetylpiperidin-4-yl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379543
1-[4-(2-Hydroxyethoxy)cyclohexyl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379559
1-(4-Hydroxycyclohexyl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379619
8-[6-[3-(Dimethylamino)propoxy]-3-pyridinyl]-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one
CID 118498683
1-(3-Methoxycyclobutyl)-3-methyl-8-[6-[3-(methylamino)propoxy]-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118498727
8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-[(3S)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
CID 118498935
8-[6-(3-Dimethylaminopropoxy)pyridin-3-yl]-1-(cis-3-methoxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 118499887
8-[6-[3-(Dimethylamino)propoxy]-3-pyridinyl]-1-(3-hydroxycyclobutyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 118500050

Frequently Asked Questions

What is the IUPAC name of 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one (CID 126689215) is 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one is CC(C)n1c(=O)n(C)c2cnc3ccc(-c4ccc(OCCCN(C)C)nc4)cc3c21.
What is the InChIKey of 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one?
The InChIKey is FBYDIXCPNMJMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-16(2)29-23-19-13-17(7-9-20(19)25-15-21(23)28(5)24(29)30)18-8-10-22(26-14-18)31-12-6-11-27(3)4/h7-10,13-16H,6,11-12H2,1-5H3.
What are the key properties of 8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one?
8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]quinolin-2-one has a molecular weight of 419.53 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 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-1-propan-2-ylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 126689215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).