[(2S)-4-[8-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]methanol

C21H21ClN4O3 — CID 126712399

IUPAC[(2S)-4-[8-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]methanol
SMILESCc1cc(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CCO[C@H](CO)C2)no1
InChIInChI=1S/C21H21ClN4O3/c1-12-6-14(25-29-12)8-20-24-19-10-23-18-3-2-13(22)7-17(18)21(19)26(20)15-4-5-28-16(9-15)11-27/h2-3,6-7,10,15-16,27H,4-5,8-9,11H2,1H3/t15?,16-/m0/s1
InChIKeyNHRSZRXXUWLZCT-LYKKTTPLSA-N
MW412.88 g/mol
LogP3.84
Rot. Bonds4

About [(2S)-4-[8-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]methanol

[(2S)-4-[8-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]methanol (PubChem CID 126712399) has the molecular formula C21H21ClN4O3 and a molecular weight of 412.88 g/mol. Its IUPAC name is [(2S)-4-[8-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-4-[8-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]methanol
PubChem CID126712399
Molecular FormulaC21H21ClN4O3
Molecular Weight412.88 g/mol
Exact Mass412.13
IUPAC Name[(2S)-4-[8-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]methanol
SMILESCc1cc(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CCO[C@H](CO)C2)no1
InChIInChI=1S/C21H21ClN4O3/c1-12-6-14(25-29-12)8-20-24-19-10-23-18-3-2-13(22)7-17(18)21(19)26(20)15-4-5-28-16(9-15)11-27/h2-3,6-7,10,15-16,27H,4-5,8-9,11H2,1H3/t15?,16-/m0/s1
InChIKeyNHRSZRXXUWLZCT-LYKKTTPLSA-N
XLogP3.84
TPSA86.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2S)-4-[8-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

8-chloro-1-[(2R)-2-methyloxan-4-yl]-2-[(5-methyl-2-pyridinyl)methyl]imidazo[4,5-c]quinoline
CID 126712298
8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline
CID 126666578
3-[[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,2-oxazole
CID 126666729
[(2S,4R)-4-[8-chloro-2-(3,3-difluorocyclobutyl)imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]methanol
CID 146339314
2-[(2R,4S)-4-(8-chloro-2-ethylimidazo[4,5-c]quinolin-1-yl)oxan-2-yl]acetonitrile
CID 142423799
3-[[8-chloro-1-[(4S)-3,3-difluorooxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2-oxazole
CID 142423810
8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[[5-(trideuteriomethyl)pyrazin-2-yl]methyl]imidazo[4,5-c]quinoline
CID 154031581
2-[4-(8-chloro-2-methylimidazo[4,5-c]quinolin-1-yl)oxan-2-yl]acetonitrile
CID 142423887
2-[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]acetonitrile
CID 126666563
4-[8-isocyano-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinolin-1-yl]-1-methylcyclohexan-1-ol
CID 140778523
1-cyclobutyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinoline-8-carbonitrile
CID 126691412
3-[(1-cyclopentyl-8-isocyanoimidazo[4,5-c]quinolin-2-yl)methyl]-5-methyl-1,2-oxazole
CID 140778496

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-[8-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]methanol?
The IUPAC name of [(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) is [(2S)-4-[8-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]methanol.
What is the SMILES notation for [(2S)-4-[8-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]methanol?
The canonical SMILES for [(2S)-4-[8-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]methanol is Cc1cc(Cc2nc3cnc4ccc(Cl)cc4c3n2C2CCO[C@H](CO)C2)no1.
What is the InChIKey of [(2S)-4-[8-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]methanol?
The InChIKey is NHRSZRXXUWLZCT-LYKKTTPLSA-N. The full InChI is InChI=1S/C21H21ClN4O3/c1-12-6-14(25-29-12)8-20-24-19-10-23-18-3-2-13(22)7-17(18)21(19)26(20)15-4-5-28-16(9-15)11-27/h2-3,6-7,10,15-16,27H,4-5,8-9,11H2,1H3/t15?,16-/m0/s1.
What are the key properties of [(2S)-4-[8-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]methanol?
[(2S)-4-[8-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]methanol has a molecular weight of 412.88 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-[8-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]methanol is sourced from PubChem (CID 126712399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).