6-methoxy-3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-1H-quinolin-2-one

C23H22N4O3 — CID 169414438

IUPAC6-methoxy-3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(-c3nccn3[C@@H]3COC[C@H]3Cc3ccncc3)cc2c1
InChIInChI=1S/C23H22N4O3/c1-29-18-2-3-20-16(11-18)12-19(23(28)26-20)22-25-8-9-27(22)21-14-30-13-17(21)10-15-4-6-24-7-5-15/h2-9,11-12,17,21H,10,13-14H2,1H3,(H,26,28)/t17-,21-/m1/s1
InChIKeyVHPWFCWJFOTQMT-DYESRHJHSA-N
MW402.45 g/mol
LogP3.23
Rot. Bonds5

About 6-methoxy-3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-1H-quinolin-2-one

6-methoxy-3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-1H-quinolin-2-one (PubChem CID 169414438) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 6-methoxy-3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methoxy-3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-1H-quinolin-2-one
PubChem CID169414438
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name6-methoxy-3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(-c3nccn3[C@@H]3COC[C@H]3Cc3ccncc3)cc2c1
InChIInChI=1S/C23H22N4O3/c1-29-18-2-3-20-16(11-18)12-19(23(28)26-20)22-25-8-9-27(22)21-14-30-13-17(21)10-15-4-6-24-7-5-15/h2-9,11-12,17,21H,10,13-14H2,1H3,(H,26,28)/t17-,21-/m1/s1
InChIKeyVHPWFCWJFOTQMT-DYESRHJHSA-N
XLogP3.23
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(3R,4S)-4-[2-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 166623324
4-[[(3S,4S)-4-[2-(2-methoxy-3,5-dimethylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 170512463
2,6-dimethoxy-4-[1-[(3S,4R)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol
CID 166612194
4-[[(3S,4S)-4-[2-(4-chloro-2-methylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 170513336
4-[[(3S,4S)-4-[2-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 166623160
2-methoxy-4-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol
CID 166620963
2-methoxy-5-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol
CID 166620172
5,7-dimethyl-3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]pyrazolo[1,5-a]pyrimidine
CID 166620296
3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 170511440
N,N-dimethyl-4-[1-[(3S,4R)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]aniline;formic acid
CID 171711936
4-[[(3R,4S)-4-[2-(3-ethylimidazol-4-yl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine;formic acid
CID 171706955
1-[(3S,4S)-4-[2-(2-fluoro-5-methoxyphenyl)imidazol-1-yl]oxolan-3-yl]-N,N-dimethylmethanesulfonamide;formic acid
CID 166598476

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-1H-quinolin-2-one?
The IUPAC name of 6-methoxy-3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-1H-quinolin-2-one (CID 169414438) is 6-methoxy-3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methoxy-3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 6-methoxy-3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(-c3nccn3[C@@H]3COC[C@H]3Cc3ccncc3)cc2c1.
What is the InChIKey of 6-methoxy-3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-1H-quinolin-2-one?
The InChIKey is VHPWFCWJFOTQMT-DYESRHJHSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-29-18-2-3-20-16(11-18)12-19(23(28)26-20)22-25-8-9-27(22)21-14-30-13-17(21)10-15-4-6-24-7-5-15/h2-9,11-12,17,21H,10,13-14H2,1H3,(H,26,28)/t17-,21-/m1/s1.
What are the key properties of 6-methoxy-3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-1H-quinolin-2-one?
6-methoxy-3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-1H-quinolin-2-one has a molecular weight of 402.45 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 169414438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).