6-(1-hydroxy-2-morpholin-4-ylethyl)-2-phenyl-N,N-di(propan-2-yl)quinoline-4-carboxamide

C28H35N3O3 — CID 101266340

IUPAC6-(1-hydroxy-2-morpholin-4-ylethyl)-2-phenyl-N,N-di(propan-2-yl)quinoline-4-carboxamide
SMILESCC(C)N(C(=O)c1cc(-c2ccccc2)nc2ccc(C(O)CN3CCOCC3)cc12)C(C)C
InChIInChI=1S/C28H35N3O3/c1-19(2)31(20(3)4)28(33)24-17-26(21-8-6-5-7-9-21)29-25-11-10-22(16-23(24)25)27(32)18-30-12-14-34-15-13-30/h5-11,16-17,19-20,27,32H,12-15,18H2,1-4H3
InChIKeyJSJCPDCENQHHFL-UHFFFAOYSA-N
MW461.61 g/mol
LogP4.53
Rot. Bonds7

About 6-(1-hydroxy-2-morpholin-4-ylethyl)-2-phenyl-N,N-di(propan-2-yl)quinoline-4-carboxamide

6-(1-hydroxy-2-morpholin-4-ylethyl)-2-phenyl-N,N-di(propan-2-yl)quinoline-4-carboxamide (PubChem CID 101266340) has the molecular formula C28H35N3O3 and a molecular weight of 461.61 g/mol. Its IUPAC name is 6-(1-hydroxy-2-morpholin-4-ylethyl)-2-phenyl-N,N-di(propan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-(1-hydroxy-2-morpholin-4-ylethyl)-2-phenyl-N,N-di(propan-2-yl)quinoline-4-carboxamide
PubChem CID101266340
Molecular FormulaC28H35N3O3
Molecular Weight461.61 g/mol
Exact Mass461.27
IUPAC Name6-(1-hydroxy-2-morpholin-4-ylethyl)-2-phenyl-N,N-di(propan-2-yl)quinoline-4-carboxamide
SMILESCC(C)N(C(=O)c1cc(-c2ccccc2)nc2ccc(C(O)CN3CCOCC3)cc12)C(C)C
InChIInChI=1S/C28H35N3O3/c1-19(2)31(20(3)4)28(33)24-17-26(21-8-6-5-7-9-21)29-25-11-10-22(16-23(24)25)27(32)18-30-12-14-34-15-13-30/h5-11,16-17,19-20,27,32H,12-15,18H2,1-4H3
InChIKeyJSJCPDCENQHHFL-UHFFFAOYSA-N
XLogP4.53
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(1-hydroxy-2-morpholin-4-ylethyl)-2-phenyl-N,N-di(propan-2-yl)quinoline-4-carboxamide with MolForge

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Related Compounds

6-butan-2-yl-2-phenylquinoline-4-carboxylic acid
CID 5183220
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 1354107
6-methyl-N-(3-morpholin-4-ylpropyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 3500045
2-(4-fluorophenyl)-N,N-di(propan-2-yl)quinoline-4-carboxamide
CID 55530881
2-(4-fluorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 112799485
6-fluoro-N-(3-morpholin-4-ylpropyl)-2-phenylquinoline-4-carboxamide
CID 42750139
6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)quinoline-4-carboxamide
CID 155549517
N,6-dimethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 166190703
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide
CID 3442010
6-methyl-N-(3-morpholin-4-ylpropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798366
N,N-bis(2-hydroxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 4522233
(1R)-2-morpholin-4-yl-1-[4-(3-propan-2-yloxyphenyl)phenyl]ethanol
CID 126434347

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxy-2-morpholin-4-ylethyl)-2-phenyl-N,N-di(propan-2-yl)quinoline-4-carboxamide?
The IUPAC name of 6-(1-hydroxy-2-morpholin-4-ylethyl)-2-phenyl-N,N-di(propan-2-yl)quinoline-4-carboxamide (CID 101266340) is 6-(1-hydroxy-2-morpholin-4-ylethyl)-2-phenyl-N,N-di(propan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 6-(1-hydroxy-2-morpholin-4-ylethyl)-2-phenyl-N,N-di(propan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 6-(1-hydroxy-2-morpholin-4-ylethyl)-2-phenyl-N,N-di(propan-2-yl)quinoline-4-carboxamide is CC(C)N(C(=O)c1cc(-c2ccccc2)nc2ccc(C(O)CN3CCOCC3)cc12)C(C)C.
What is the InChIKey of 6-(1-hydroxy-2-morpholin-4-ylethyl)-2-phenyl-N,N-di(propan-2-yl)quinoline-4-carboxamide?
The InChIKey is JSJCPDCENQHHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O3/c1-19(2)31(20(3)4)28(33)24-17-26(21-8-6-5-7-9-21)29-25-11-10-22(16-23(24)25)27(32)18-30-12-14-34-15-13-30/h5-11,16-17,19-20,27,32H,12-15,18H2,1-4H3.
What are the key properties of 6-(1-hydroxy-2-morpholin-4-ylethyl)-2-phenyl-N,N-di(propan-2-yl)quinoline-4-carboxamide?
6-(1-hydroxy-2-morpholin-4-ylethyl)-2-phenyl-N,N-di(propan-2-yl)quinoline-4-carboxamide has a molecular weight of 461.61 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxy-2-morpholin-4-ylethyl)-2-phenyl-N,N-di(propan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 101266340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).