N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]quinoline-6-carboxamide

C22H21N3O2 — CID 129391590

IUPACN-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]quinoline-6-carboxamide
SMILESO=C(CNC(=O)c1ccc2ncccc2c1)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C22H21N3O2/c26-21(25-20-9-3-6-15-5-1-2-8-18(15)20)14-24-22(27)17-10-11-19-16(13-17)7-4-12-23-19/h1-2,4-5,7-8,10-13,20H,3,6,9,14H2,(H,24,27)(H,25,26)/t20-/m0/s1
InChIKeyMBGWYGHZHAXUFZ-FQEVSTJZSA-N
MW359.43 g/mol
LogP3.16
Rot. Bonds4

About N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]quinoline-6-carboxamide

N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]quinoline-6-carboxamide (PubChem CID 129391590) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]quinoline-6-carboxamide
PubChem CID129391590
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]quinoline-6-carboxamide
SMILESO=C(CNC(=O)c1ccc2ncccc2c1)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C22H21N3O2/c26-21(25-20-9-3-6-15-5-1-2-8-18(15)20)14-24-22(27)17-10-11-19-16(13-17)7-4-12-23-19/h1-2,4-5,7-8,10-13,20H,3,6,9,14H2,(H,24,27)(H,25,26)/t20-/m0/s1
InChIKeyMBGWYGHZHAXUFZ-FQEVSTJZSA-N
XLogP3.16
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]quinoline-6-carboxamide with MolForge

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Related Compounds

N-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]quinoline-6-carboxamide
CID 129391588
2-quinolin-6-yloxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 75405661
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881080
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]naphthalene-2-carboxamide
CID 7688440
N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 51273775
2-fluoro-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide
CID 9216438
4-octyl-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide
CID 143041747
2,4-dichloro-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide
CID 46520269
2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]acetamide
CID 166276896
4-[(4-methoxyphenyl)sulfonylamino]-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide
CID 41080998
N-benzyl-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]benzamide
CID 9253250
N-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-2,2-diphenylacetamide
CID 143477934

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]quinoline-6-carboxamide?
The IUPAC name of N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]quinoline-6-carboxamide (CID 129391590) is N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]quinoline-6-carboxamide?
The canonical SMILES for N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]quinoline-6-carboxamide is O=C(CNC(=O)c1ccc2ncccc2c1)N[C@H]1CCCc2ccccc21.
What is the InChIKey of N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]quinoline-6-carboxamide?
The InChIKey is MBGWYGHZHAXUFZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-21(25-20-9-3-6-15-5-1-2-8-18(15)20)14-24-22(27)17-10-11-19-16(13-17)7-4-12-23-19/h1-2,4-5,7-8,10-13,20H,3,6,9,14H2,(H,24,27)(H,25,26)/t20-/m0/s1.
What are the key properties of N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]quinoline-6-carboxamide?
N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]quinoline-6-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]quinoline-6-carboxamide is sourced from PubChem (CID 129391590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).