N,1-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide

C16H23N3O3 — CID 56880466

IUPACN,1-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCNC(=O)C(C)N(C)C(=O)c1cc2c(n(C)c1=O)CCCC2
InChIInChI=1S/C16H23N3O3/c1-10(14(20)17-2)18(3)15(21)12-9-11-7-5-6-8-13(11)19(4)16(12)22/h9-10H,5-8H2,1-4H3,(H,17,20)
InChIKeyCUCNDXDOEQZYAP-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.47
Rot. Bonds3

About N,1-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide

N,1-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 56880466) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N,1-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID56880466
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN,1-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCNC(=O)C(C)N(C)C(=O)c1cc2c(n(C)c1=O)CCCC2
InChIInChI=1S/C16H23N3O3/c1-10(14(20)17-2)18(3)15(21)12-9-11-7-5-6-8-13(11)19(4)16(12)22/h9-10H,5-8H2,1-4H3,(H,17,20)
InChIKeyCUCNDXDOEQZYAP-UHFFFAOYSA-N
XLogP0.47
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N,1-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide (CID 56880466) is N,1-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide is CNC(=O)C(C)N(C)C(=O)c1cc2c(n(C)c1=O)CCCC2.
What is the InChIKey of N,1-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is CUCNDXDOEQZYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-10(14(20)17-2)18(3)15(21)12-9-11-7-5-6-8-13(11)19(4)16(12)22/h9-10H,5-8H2,1-4H3,(H,17,20).
What are the key properties of N,1-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide?
N,1-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 56880466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).