5-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C19H24N4O2 — CID 22890957

IUPAC5-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NCNC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C19H24N4O2/c24-18-9-7-12-14(3-1-5-16(12)22-18)20-11-21-15-4-2-6-17-13(15)8-10-19(25)23-17/h7-10,14-15,20-21H,1-6,11H2,(H,22,24)(H,23,25)
InChIKeyZZKQPVAGXCPANV-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.65
Rot. Bonds4

About 5-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 22890957) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID22890957
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name5-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NCNC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C19H24N4O2/c24-18-9-7-12-14(3-1-5-16(12)22-18)20-11-21-15-4-2-6-17-13(15)8-10-19(25)23-17/h7-10,14-15,20-21H,1-6,11H2,(H,22,24)(H,23,25)
InChIKeyZZKQPVAGXCPANV-UHFFFAOYSA-N
XLogP1.65
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

5-(2-aminoethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108138
(5S)-5-(methylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 89053172
5-(3,3-dimethylbutylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 113260561
5-(2-ethylsulfonylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 103781006
5-[(2-hydroxycyclopentyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81107715
5-(2-methylsulfanylpropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 113349035
5-[(3,3-difluoro-2-hydroxypropyl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 103788075
5-(hex-5-ynylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 113348897
5-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 115358998
5-[(1-methylpiperidin-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108578
5-[(1-propylcyclopropyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 103903735
5-[3-(diethylamino)propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81109345

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 22890957) is 5-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1ccc2c([nH]1)CCCC2NCNC1CCCc2[nH]c(=O)ccc21.
What is the InChIKey of 5-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is ZZKQPVAGXCPANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-18-9-7-12-14(3-1-5-16(12)22-18)20-11-21-15-4-2-6-17-13(15)8-10-19(25)23-17/h7-10,14-15,20-21H,1-6,11H2,(H,22,24)(H,23,25).
What are the key properties of 5-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 340.43 g/mol, XLogP of 1.65, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 22890957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).