N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide

C26H29N3O2 — CID 18319843

IUPACN-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESO=C(Nc1ccc(CCNCC(O)c2ccccc2)cc1)C1CCCc2cccnc21
InChIInChI=1S/C26H29N3O2/c30-24(20-6-2-1-3-7-20)18-27-17-15-19-11-13-22(14-12-19)29-26(31)23-10-4-8-21-9-5-16-28-25(21)23/h1-3,5-7,9,11-14,16,23-24,27,30H,4,8,10,15,17-18H2,(H,29,31)
InChIKeyTVXPLAKOVFMZLB-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.01
Rot. Bonds8

About N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide

N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide (PubChem CID 18319843) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
PubChem CID18319843
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESO=C(Nc1ccc(CCNCC(O)c2ccccc2)cc1)C1CCCc2cccnc21
InChIInChI=1S/C26H29N3O2/c30-24(20-6-2-1-3-7-20)18-27-17-15-19-11-13-22(14-12-19)29-26(31)23-10-4-8-21-9-5-16-28-25(21)23/h1-3,5-7,9,11-14,16,23-24,27,30H,4,8,10,15,17-18H2,(H,29,31)
InChIKeyTVXPLAKOVFMZLB-UHFFFAOYSA-N
XLogP4.01
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]pyridine-2-carboxamide;dihydrochloride
CID 18319731
(6S)-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 139318199
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-2-pyridin-2-ylacetamide;hydrochloride
CID 46192969
(8S)-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 100665801
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 154754689
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-N-phenylpyridine-2-carboxamide
CID 139886411
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 46192825
2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;dihydrochloride
CID 140665357
2-amino-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 18319720
N-[3-oxo-3-(pyridin-3-ylamino)propyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 154754726
2-(2-acetamido-1,3-thiazol-4-yl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide
CID 18319845

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The IUPAC name of N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide (CID 18319843) is N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide is O=C(Nc1ccc(CCNCC(O)c2ccccc2)cc1)C1CCCc2cccnc21.
What is the InChIKey of N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The InChIKey is TVXPLAKOVFMZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c30-24(20-6-2-1-3-7-20)18-27-17-15-19-11-13-22(14-12-19)29-26(31)23-10-4-8-21-9-5-16-28-25(21)23/h1-3,5-7,9,11-14,16,23-24,27,30H,4,8,10,15,17-18H2,(H,29,31).
What are the key properties of N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 4.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 18319843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).