5-(2-cyclopropylquinoline-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one

C27H36N4O2 — CID 157016747

IUPAC5-(2-cyclopropylquinoline-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one
SMILESO=C1CC2CCCCN2CCCN(C(=O)c2cc(C3CC3)nc3ccccc23)CCCCN1
InChIInChI=1S/C27H36N4O2/c32-26-18-21-8-3-5-14-30(21)16-7-17-31(15-6-4-13-28-26)27(33)23-19-25(20-11-12-20)29-24-10-2-1-9-22(23)24/h1-2,9-10,19-21H,3-8,11-18H2,(H,28,32)
InChIKeyOHYPERQWDUOAME-UHFFFAOYSA-N
MW448.61 g/mol
LogP4.10
Rot. Bonds2

About 5-(2-cyclopropylquinoline-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one

5-(2-cyclopropylquinoline-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one (PubChem CID 157016747) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is 5-(2-cyclopropylquinoline-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one.

Molecular Properties

Compound Name5-(2-cyclopropylquinoline-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one
PubChem CID157016747
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC Name5-(2-cyclopropylquinoline-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one
SMILESO=C1CC2CCCCN2CCCN(C(=O)c2cc(C3CC3)nc3ccccc23)CCCCN1
InChIInChI=1S/C27H36N4O2/c32-26-18-21-8-3-5-14-30(21)16-7-17-31(15-6-4-13-28-26)27(33)23-19-25(20-11-12-20)29-24-10-2-1-9-22(23)24/h1-2,9-10,19-21H,3-8,11-18H2,(H,28,32)
InChIKeyOHYPERQWDUOAME-UHFFFAOYSA-N
XLogP4.10
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-cyclopropylquinoline-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one with MolForge

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Related Compounds

(2-cyclopropylquinolin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78794847
(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119374525
5-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one
CID 157016289
1-(2-cyclopropylquinoline-4-carbonyl)-3-hydroxypiperidine-3-carboxylic acid
CID 126838949
5-(1-methylimidazole-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one
CID 157018929
(2-cyclopropylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;dihydrochloride
CID 119636803
6-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-1,6,10-triazabicyclo[11.4.0]heptadecan-11-one
CID 157015083
2-piperidin-4-ylquinoline-4-carboxylic acid
CID 84635932
6-(1H-pyrrole-3-carbonyl)-1,6,10-triazabicyclo[11.4.0]heptadecan-11-one
CID 157020363
(2-cyclopropylquinolin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645943
2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 39488256
(2-cyclopropylquinolin-4-yl)-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 31425869

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylquinoline-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one?
The IUPAC name of 5-(2-cyclopropylquinoline-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one (CID 157016747) is 5-(2-cyclopropylquinoline-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one.
What is the SMILES notation for 5-(2-cyclopropylquinoline-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one?
The canonical SMILES for 5-(2-cyclopropylquinoline-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one is O=C1CC2CCCCN2CCCN(C(=O)c2cc(C3CC3)nc3ccccc23)CCCCN1.
What is the InChIKey of 5-(2-cyclopropylquinoline-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one?
The InChIKey is OHYPERQWDUOAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O2/c32-26-18-21-8-3-5-14-30(21)16-7-17-31(15-6-4-13-28-26)27(33)23-19-25(20-11-12-20)29-24-10-2-1-9-22(23)24/h1-2,9-10,19-21H,3-8,11-18H2,(H,28,32).
What are the key properties of 5-(2-cyclopropylquinoline-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one?
5-(2-cyclopropylquinoline-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one has a molecular weight of 448.61 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylquinoline-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one is sourced from PubChem (CID 157016747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).