1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenoxy]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-2-ol

C21H26N4O2 — CID 102059671

IUPAC1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenoxy]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
SMILESOC(COc1ccc(NC2=NCCN2)cc1)CN1CCCc2ccccc21
InChIInChI=1S/C21H26N4O2/c26-18(14-25-13-3-5-16-4-1-2-6-20(16)25)15-27-19-9-7-17(8-10-19)24-21-22-11-12-23-21/h1-2,4,6-10,18,26H,3,5,11-15H2,(H2,22,23,24)
InChIKeyKTFRDAFCFWUUIY-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.25
Rot. Bonds6

About 1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenoxy]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-2-ol

1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenoxy]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-2-ol (PubChem CID 102059671) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenoxy]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenoxy]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
PubChem CID102059671
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenoxy]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
SMILESOC(COc1ccc(NC2=NCCN2)cc1)CN1CCCc2ccccc21
InChIInChI=1S/C21H26N4O2/c26-18(14-25-13-3-5-16-4-1-2-6-20(16)25)15-27-19-9-7-17(8-10-19)24-21-22-11-12-23-21/h1-2,4,6-10,18,26H,3,5,11-15H2,(H2,22,23,24)
InChIKeyKTFRDAFCFWUUIY-UHFFFAOYSA-N
XLogP2.25
TPSA69.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-nitrophenoxy)propan-2-ol
CID 3763167
1-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol
CID 3350158
1-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;hydrochloride
CID 138959492
1-(2,3-dihydroindol-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 138959489
(2S)-1-(2,3-dihydroindol-1-yl)-3-[4-[4-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropoxy]phenyl]sulfonylphenoxy]propan-2-ol
CID 100822983
N-[2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 3558526
1-(2,3-dihydroindol-1-yl)-3-naphthalen-2-yloxypropan-2-ol
CID 19133022
1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylmethoxypropan-2-ol
CID 3804893
(2S,11R)-1,12-bis(3,4-dihydro-2H-quinolin-1-yl)dodecane-2,11-diol
CID 92532372
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991698
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(2-methylpropoxy)aniline
CID 54807100
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)ethoxy]phenyl]acetamide
CID 71912035

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenoxy]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-2-ol?
The IUPAC name of 1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenoxy]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-2-ol (CID 102059671) is 1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenoxy]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenoxy]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-2-ol?
The canonical SMILES for 1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenoxy]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-2-ol is OC(COc1ccc(NC2=NCCN2)cc1)CN1CCCc2ccccc21.
What is the InChIKey of 1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenoxy]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-2-ol?
The InChIKey is KTFRDAFCFWUUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-18(14-25-13-3-5-16-4-1-2-6-20(16)25)15-27-19-9-7-17(8-10-19)24-21-22-11-12-23-21/h1-2,4,6-10,18,26H,3,5,11-15H2,(H2,22,23,24).
What are the key properties of 1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenoxy]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-2-ol?
1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenoxy]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-2-ol has a molecular weight of 366.47 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenoxy]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-2-ol is sourced from PubChem (CID 102059671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).