2-methyl-1-[2-(phenylmethoxymethyl)oxan-4-yl]imidazo[4,5-c]quinoline

C24H25N3O2 — CID 126666622

IUPAC2-methyl-1-[2-(phenylmethoxymethyl)oxan-4-yl]imidazo[4,5-c]quinoline
SMILESCc1nc2cnc3ccccc3c2n1C1CCOC(COCc2ccccc2)C1
InChIInChI=1S/C24H25N3O2/c1-17-26-23-14-25-22-10-6-5-9-21(22)24(23)27(17)19-11-12-29-20(13-19)16-28-15-18-7-3-2-4-8-18/h2-10,14,19-20H,11-13,15-16H2,1H3
InChIKeyDSNXDEICSQIMES-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.83
Rot. Bonds5

About 2-methyl-1-[2-(phenylmethoxymethyl)oxan-4-yl]imidazo[4,5-c]quinoline

2-methyl-1-[2-(phenylmethoxymethyl)oxan-4-yl]imidazo[4,5-c]quinoline (PubChem CID 126666622) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-methyl-1-[2-(phenylmethoxymethyl)oxan-4-yl]imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name2-methyl-1-[2-(phenylmethoxymethyl)oxan-4-yl]imidazo[4,5-c]quinoline
PubChem CID126666622
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name2-methyl-1-[2-(phenylmethoxymethyl)oxan-4-yl]imidazo[4,5-c]quinoline
SMILESCc1nc2cnc3ccccc3c2n1C1CCOC(COCc2ccccc2)C1
InChIInChI=1S/C24H25N3O2/c1-17-26-23-14-25-22-10-6-5-9-21(22)24(23)27(17)19-11-12-29-20(13-19)16-28-15-18-7-3-2-4-8-18/h2-10,14,19-20H,11-13,15-16H2,1H3
InChIKeyDSNXDEICSQIMES-UHFFFAOYSA-N
XLogP4.83
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-chloro-2-(3,3-difluorocyclobutyl)-1-[(2R,4S)-2-(phenylmethoxymethyl)oxan-4-yl]imidazo[4,5-c]quinoline
CID 146316751
2-[4-(8-chloro-2-methylimidazo[4,5-c]quinolin-1-yl)oxan-2-yl]acetonitrile
CID 142423887
[(2S,4R)-4-(8-chloro-2-cyclobutylimidazo[4,5-c]quinolin-1-yl)oxan-2-yl]methyl methanesulfonate
CID 162479693
2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline
CID 22254436
[(2S)-4-[8-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]methanol
CID 126712399
N-[6-chloro-4-[[2-(phenylmethoxymethyl)oxan-4-yl]amino]quinolin-3-yl]cyclobutanecarboxamide
CID 175009681
trimethyl-[[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]silane
CID 100983477
1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline
CID 18760176
4-methyl-3-(oxan-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 58395290
[(2S,4R)-4-[8-chloro-2-(3,3-difluorocyclobutyl)imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]methanol
CID 146339314
2-[2,3-bis(phenylmethoxymethyl)cyclobutyl]-4-methylquinoline
CID 85122568
2-(chloromethyl)-1-(2-methylcyclopropyl)imidazo[4,5-c]quinoline
CID 103964688

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(phenylmethoxymethyl)oxan-4-yl]imidazo[4,5-c]quinoline?
The IUPAC name of 2-methyl-1-[2-(phenylmethoxymethyl)oxan-4-yl]imidazo[4,5-c]quinoline (CID 126666622) is 2-methyl-1-[2-(phenylmethoxymethyl)oxan-4-yl]imidazo[4,5-c]quinoline.
What is the SMILES notation for 2-methyl-1-[2-(phenylmethoxymethyl)oxan-4-yl]imidazo[4,5-c]quinoline?
The canonical SMILES for 2-methyl-1-[2-(phenylmethoxymethyl)oxan-4-yl]imidazo[4,5-c]quinoline is Cc1nc2cnc3ccccc3c2n1C1CCOC(COCc2ccccc2)C1.
What is the InChIKey of 2-methyl-1-[2-(phenylmethoxymethyl)oxan-4-yl]imidazo[4,5-c]quinoline?
The InChIKey is DSNXDEICSQIMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-17-26-23-14-25-22-10-6-5-9-21(22)24(23)27(17)19-11-12-29-20(13-19)16-28-15-18-7-3-2-4-8-18/h2-10,14,19-20H,11-13,15-16H2,1H3.
What are the key properties of 2-methyl-1-[2-(phenylmethoxymethyl)oxan-4-yl]imidazo[4,5-c]quinoline?
2-methyl-1-[2-(phenylmethoxymethyl)oxan-4-yl]imidazo[4,5-c]quinoline has a molecular weight of 387.48 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(phenylmethoxymethyl)oxan-4-yl]imidazo[4,5-c]quinoline is sourced from PubChem (CID 126666622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).