4-methoxy-3-[1-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol

C24H23N3O3 — CID 165426040

IUPAC4-methoxy-3-[1-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol
SMILESCOc1ccc(O)cc1-c1nccn1[C@@H]1COC[C@H]1Cc1ccnc2ccccc12
InChIInChI=1S/C24H23N3O3/c1-29-23-7-6-18(28)13-20(23)24-26-10-11-27(24)22-15-30-14-17(22)12-16-8-9-25-21-5-3-2-4-19(16)21/h2-11,13,17,22,28H,12,14-15H2,1H3/t17-,22-/m1/s1
InChIKeyPTQAFUGJEWRESH-VGOFRKELSA-N
MW401.47 g/mol
LogP4.24
Rot. Bonds5

About 4-methoxy-3-[1-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol

4-methoxy-3-[1-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol (PubChem CID 165426040) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-methoxy-3-[1-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol.

Molecular Properties

Compound Name4-methoxy-3-[1-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol
PubChem CID165426040
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name4-methoxy-3-[1-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol
SMILESCOc1ccc(O)cc1-c1nccn1[C@@H]1COC[C@H]1Cc1ccnc2ccccc12
InChIInChI=1S/C24H23N3O3/c1-29-23-7-6-18(28)13-20(23)24-26-10-11-27(24)22-15-30-14-17(22)12-16-8-9-25-21-5-3-2-4-19(16)21/h2-11,13,17,22,28H,12,14-15H2,1H3/t17-,22-/m1/s1
InChIKeyPTQAFUGJEWRESH-VGOFRKELSA-N
XLogP4.24
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-3-[1-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol with MolForge

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Related Compounds

2-methoxy-5-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol
CID 166620172
2,6-dimethoxy-4-[1-[(3S,4R)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol
CID 166612194
3-chloro-4-methoxy-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135087222
2-methoxy-4-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol
CID 166620963
4-[[(3S,4S)-4-[2-(2-methoxy-3,5-dimethylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 170512463
3-methoxy-4-propan-2-yloxy-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134696924
2-methoxy-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]phenol
CID 146042201
3-(quinolin-4-ylmethyl)oxan-4-ol
CID 106471125
3-(3-methylpyrazol-1-yl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
CID 134705697
4-[[(3R,4S)-4-[2-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 166623324
2-ethyl-5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide
CID 134712220
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 135102279

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[1-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol?
The IUPAC name of 4-methoxy-3-[1-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol (CID 165426040) is 4-methoxy-3-[1-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol.
What is the SMILES notation for 4-methoxy-3-[1-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol?
The canonical SMILES for 4-methoxy-3-[1-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol is COc1ccc(O)cc1-c1nccn1[C@@H]1COC[C@H]1Cc1ccnc2ccccc12.
What is the InChIKey of 4-methoxy-3-[1-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol?
The InChIKey is PTQAFUGJEWRESH-VGOFRKELSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-29-23-7-6-18(28)13-20(23)24-26-10-11-27(24)22-15-30-14-17(22)12-16-8-9-25-21-5-3-2-4-19(16)21/h2-11,13,17,22,28H,12,14-15H2,1H3/t17-,22-/m1/s1.
What are the key properties of 4-methoxy-3-[1-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol?
4-methoxy-3-[1-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol has a molecular weight of 401.47 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[1-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol is sourced from PubChem (CID 165426040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).