N-[(6S)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]morpholine-4-carboxamide

C18H25N3O3 — CID 97406161

IUPACN-[(6S)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]morpholine-4-carboxamide
SMILESO=C(N[C@H]1CCc2c(ccc(=O)n2CC2CC2)C1)N1CCOCC1
InChIInChI=1S/C18H25N3O3/c22-17-6-3-14-11-15(19-18(23)20-7-9-24-10-8-20)4-5-16(14)21(17)12-13-1-2-13/h3,6,13,15H,1-2,4-5,7-12H2,(H,19,23)/t15-/m0/s1
InChIKeyTUYOLKLBPJETRE-HNNXBMFYSA-N
MW331.42 g/mol
LogP1.16
Rot. Bonds3

About N-[(6S)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]morpholine-4-carboxamide

N-[(6S)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]morpholine-4-carboxamide (PubChem CID 97406161) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(6S)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(6S)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]morpholine-4-carboxamide
PubChem CID97406161
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[(6S)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]morpholine-4-carboxamide
SMILESO=C(N[C@H]1CCc2c(ccc(=O)n2CC2CC2)C1)N1CCOCC1
InChIInChI=1S/C18H25N3O3/c22-17-6-3-14-11-15(19-18(23)20-7-9-24-10-8-20)4-5-16(14)21(17)12-13-1-2-13/h3,6,13,15H,1-2,4-5,7-12H2,(H,19,23)/t15-/m0/s1
InChIKeyTUYOLKLBPJETRE-HNNXBMFYSA-N
XLogP1.16
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6S)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(6S)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]morpholine-4-carboxamide (CID 97406161) is N-[(6S)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(6S)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(6S)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]morpholine-4-carboxamide is O=C(N[C@H]1CCc2c(ccc(=O)n2CC2CC2)C1)N1CCOCC1.
What is the InChIKey of N-[(6S)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]morpholine-4-carboxamide?
The InChIKey is TUYOLKLBPJETRE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N3O3/c22-17-6-3-14-11-15(19-18(23)20-7-9-24-10-8-20)4-5-16(14)21(17)12-13-1-2-13/h3,6,13,15H,1-2,4-5,7-12H2,(H,19,23)/t15-/m0/s1.
What are the key properties of N-[(6S)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]morpholine-4-carboxamide?
N-[(6S)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]morpholine-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]morpholine-4-carboxamide is sourced from PubChem (CID 97406161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).