(2S)-N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]oxolane-2-carboxamide

C18H27N3O3 — CID 97389922

IUPAC(2S)-N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]oxolane-2-carboxamide
SMILESCN(C)CCn1c2c(ccc1=O)C[C@@H](NC(=O)[C@@H]1CCCO1)CC2
InChIInChI=1S/C18H27N3O3/c1-20(2)9-10-21-15-7-6-14(12-13(15)5-8-17(21)22)19-18(23)16-4-3-11-24-16/h5,8,14,16H,3-4,6-7,9-12H2,1-2H3,(H,19,23)/t14-,16-/m0/s1
InChIKeyILRZYXTVSWWRLT-HOCLYGCPSA-N
MW333.43 g/mol
LogP0.56
Rot. Bonds5

About (2S)-N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]oxolane-2-carboxamide

(2S)-N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]oxolane-2-carboxamide (PubChem CID 97389922) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2S)-N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]oxolane-2-carboxamide
PubChem CID97389922
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(2S)-N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]oxolane-2-carboxamide
SMILESCN(C)CCn1c2c(ccc1=O)C[C@@H](NC(=O)[C@@H]1CCCO1)CC2
InChIInChI=1S/C18H27N3O3/c1-20(2)9-10-21-15-7-6-14(12-13(15)5-8-17(21)22)19-18(23)16-4-3-11-24-16/h5,8,14,16H,3-4,6-7,9-12H2,1-2H3,(H,19,23)/t14-,16-/m0/s1
InChIKeyILRZYXTVSWWRLT-HOCLYGCPSA-N
XLogP0.56
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]oxolane-2-carboxamide with MolForge

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Related Compounds

1-[2-(dimethylamino)ethyl]-6-(pyrimidin-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one;dihydrochloride
CID 172894489
N-[(6S)-1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide
CID 97389930
(2R)-N-cyclopentyloxolane-2-carboxamide
CID 7368998
(2S)-N-cyclopentyloxolane-2-carboxamide
CID 7368997
(2R)-N-cyclopropyloxolane-2-carboxamide
CID 40569533
(2R)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxolane-2-carboxamide
CID 91786393
(2S)-N-[4-(methylamino)cyclohexyl]oxolane-2-carboxamide
CID 93256529
(2S)-N-(azetidin-3-yl)oxolane-2-carboxamide
CID 104856358
(2R)-N-[4-(methylamino)cyclohexyl]oxolane-2-carboxamide
CID 93256530
1-(cyclopropylmethyl)-7-[(2R)-oxolane-2-carbonyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 97466847
N-(oxan-4-yl)oxolane-2-carboxamide
CID 110726803
N-benzyl-4-(oxolane-2-carbonylamino)piperidine-1-carboxamide
CID 110821703

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]oxolane-2-carboxamide (CID 97389922) is (2S)-N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]oxolane-2-carboxamide is CN(C)CCn1c2c(ccc1=O)C[C@@H](NC(=O)[C@@H]1CCCO1)CC2.
What is the InChIKey of (2S)-N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]oxolane-2-carboxamide?
The InChIKey is ILRZYXTVSWWRLT-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-20(2)9-10-21-15-7-6-14(12-13(15)5-8-17(21)22)19-18(23)16-4-3-11-24-16/h5,8,14,16H,3-4,6-7,9-12H2,1-2H3,(H,19,23)/t14-,16-/m0/s1.
What are the key properties of (2S)-N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]oxolane-2-carboxamide?
(2S)-N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]oxolane-2-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(6S)-1-[2-(dimethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]oxolane-2-carboxamide is sourced from PubChem (CID 97389922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).