1-(3-morpholin-4-ylpropylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol;hydrochloride

C25H32ClN3O3 — CID 18432984

IUPAC1-(3-morpholin-4-ylpropylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol;hydrochloride
SMILESCl.OC(CNCCCN1CCOCC1)COc1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C25H31N3O3.ClH/c29-21(18-26-11-6-12-28-13-15-30-16-14-28)19-31-25-17-24(20-7-2-1-3-8-20)27-23-10-5-4-9-22(23)25;/h1-5,7-10,17,21,26,29H,6,11-16,18-19H2;1H
InChIKeyXWLNNOZMHZLSES-UHFFFAOYSA-N
MW458.00 g/mol
LogP3.38
Rot. Bonds10

About 1-(3-morpholin-4-ylpropylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol;hydrochloride

1-(3-morpholin-4-ylpropylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol;hydrochloride (PubChem CID 18432984) has the molecular formula C25H32ClN3O3 and a molecular weight of 458.00 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol;hydrochloride
PubChem CID18432984
Molecular FormulaC25H32ClN3O3
Molecular Weight458.00 g/mol
Exact Mass457.21
IUPAC Name1-(3-morpholin-4-ylpropylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol;hydrochloride
SMILESCl.OC(CNCCCN1CCOCC1)COc1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C25H31N3O3.ClH/c29-21(18-26-11-6-12-28-13-15-30-16-14-28)19-31-25-17-24(20-7-2-1-3-8-20)27-23-10-5-4-9-22(23)25;/h1-5,7-10,17,21,26,29H,6,11-16,18-19H2;1H
InChIKeyXWLNNOZMHZLSES-UHFFFAOYSA-N
XLogP3.38
TPSA66.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.00
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(butylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol
CID 18432972
1-[4-[2-hydroxy-3-(3-morpholin-4-ylpropylamino)propoxy]phenoxy]-3-(3-morpholin-4-ylpropylamino)propan-2-ol
CID 19133409
S-morpholin-4-yl 2-(2-phenylquinolin-4-yl)oxyethanethioate
CID 88639240
6-fluoro-N-(3-morpholin-4-ylpropyl)-2-phenylquinoline-4-carboxamide
CID 42750139
3-morpholin-4-yl-N-(quinolin-4-ylmethyl)propan-1-amine
CID 63850211
2-(3-chlorophenyl)-4-ethoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide
CID 46318912
2-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 2965752
2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 22422673
(1R)-2-(2-morpholin-4-ylethylamino)-1-phenylethanol
CID 39353337
4-(3-benzo[a]phenazin-5-yloxypropyl)morpholine
CID 71722358
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide
CID 3442010
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 1354107

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol;hydrochloride?
The IUPAC name of 1-(3-morpholin-4-ylpropylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol;hydrochloride (CID 18432984) is 1-(3-morpholin-4-ylpropylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(3-morpholin-4-ylpropylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-(3-morpholin-4-ylpropylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol;hydrochloride is Cl.OC(CNCCCN1CCOCC1)COc1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 1-(3-morpholin-4-ylpropylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol;hydrochloride?
The InChIKey is XWLNNOZMHZLSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3.ClH/c29-21(18-26-11-6-12-28-13-15-30-16-14-28)19-31-25-17-24(20-7-2-1-3-8-20)27-23-10-5-4-9-22(23)25;/h1-5,7-10,17,21,26,29H,6,11-16,18-19H2;1H.
What are the key properties of 1-(3-morpholin-4-ylpropylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol;hydrochloride?
1-(3-morpholin-4-ylpropylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol;hydrochloride has a molecular weight of 458.00 g/mol, XLogP of 3.38, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol;hydrochloride is sourced from PubChem (CID 18432984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).