N-[3-[methyl(propyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide

C17H29N3O2 — CID 123208252

IUPACN-[3-[methyl(propyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide
SMILESCCCN(C)C(=O)CCNC(=O)N1CCCC2CCCC=C21
InChIInChI=1S/C17H29N3O2/c1-3-12-19(2)16(21)10-11-18-17(22)20-13-6-8-14-7-4-5-9-15(14)20/h9,14H,3-8,10-13H2,1-2H3,(H,18,22)
InChIKeyZAYGROHEVPWMFZ-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.73
Rot. Bonds5

About N-[3-[methyl(propyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide

N-[3-[methyl(propyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide (PubChem CID 123208252) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[3-[methyl(propyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl(propyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide
PubChem CID123208252
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC NameN-[3-[methyl(propyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide
SMILESCCCN(C)C(=O)CCNC(=O)N1CCCC2CCCC=C21
InChIInChI=1S/C17H29N3O2/c1-3-12-19(2)16(21)10-11-18-17(22)20-13-6-8-14-7-4-5-9-15(14)20/h9,14H,3-8,10-13H2,1-2H3,(H,18,22)
InChIKeyZAYGROHEVPWMFZ-UHFFFAOYSA-N
XLogP2.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(propyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-[3-[methyl(propyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide (CID 123208252) is N-[3-[methyl(propyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-[3-[methyl(propyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-[3-[methyl(propyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide is CCCN(C)C(=O)CCNC(=O)N1CCCC2CCCC=C21.
What is the InChIKey of N-[3-[methyl(propyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide?
The InChIKey is ZAYGROHEVPWMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-3-12-19(2)16(21)10-11-18-17(22)20-13-6-8-14-7-4-5-9-15(14)20/h9,14H,3-8,10-13H2,1-2H3,(H,18,22).
What are the key properties of N-[3-[methyl(propyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide?
N-[3-[methyl(propyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(propyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 123208252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).