2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-5-hydroxy-1-methylpyridin-4-one

C18H19ClN4O2 — CID 118707267

IUPAC2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-5-hydroxy-1-methylpyridin-4-one
SMILESCn1cc(O)c(=O)cc1CNCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C18H19ClN4O2/c1-23-11-18(25)17(24)9-13(23)10-20-6-7-22-15-4-5-21-16-8-12(19)2-3-14(15)16/h2-5,8-9,11,20,25H,6-7,10H2,1H3,(H,21,22)
InChIKeyZGYTWPGMMKYNBY-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.49
Rot. Bonds6

About 2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-5-hydroxy-1-methylpyridin-4-one

2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-5-hydroxy-1-methylpyridin-4-one (PubChem CID 118707267) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-5-hydroxy-1-methylpyridin-4-one.

Molecular Properties

Compound Name2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-5-hydroxy-1-methylpyridin-4-one
PubChem CID118707267
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-5-hydroxy-1-methylpyridin-4-one
SMILESCn1cc(O)c(=O)cc1CNCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C18H19ClN4O2/c1-23-11-18(25)17(24)9-13(23)10-20-6-7-22-15-4-5-21-16-8-12(19)2-3-14(15)16/h2-5,8-9,11,20,25H,6-7,10H2,1H3,(H,21,22)
InChIKeyZGYTWPGMMKYNBY-UHFFFAOYSA-N
XLogP2.49
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-5-hydroxy-1-methylpyridin-4-one with MolForge

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Related Compounds

2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-1-cyclopropyl-5-hydroxypyridin-4-one
CID 118705908
N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
CID 44543907
N'-(7-chloroquinolin-4-yl)-N-(cyclopenta-1,3-dien-1-ylmethyl)ethane-1,2-diamine
CID 71594262
CID 66549609
CID 66549609
N-butyl-7-chloroquinolin-4-amine
CID 10037042
2-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]-4-methoxyphenol
CID 46222242
3-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-4-methoxycyclobut-3-ene-1,2-dione
CID 73349406
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
7-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]quinolin-4-amine
CID 78955180
3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307879
5-[(7-chloroquinolin-4-yl)amino]pentanamide
CID 106238925
3-[(7-chloroquinolin-4-yl)amino]-N,N-diethylpropanamide
CID 60926754

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-5-hydroxy-1-methylpyridin-4-one?
The IUPAC name of 2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-5-hydroxy-1-methylpyridin-4-one (CID 118707267) is 2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-5-hydroxy-1-methylpyridin-4-one.
What is the SMILES notation for 2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-5-hydroxy-1-methylpyridin-4-one?
The canonical SMILES for 2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-5-hydroxy-1-methylpyridin-4-one is Cn1cc(O)c(=O)cc1CNCCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-5-hydroxy-1-methylpyridin-4-one?
The InChIKey is ZGYTWPGMMKYNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-23-11-18(25)17(24)9-13(23)10-20-6-7-22-15-4-5-21-16-8-12(19)2-3-14(15)16/h2-5,8-9,11,20,25H,6-7,10H2,1H3,(H,21,22).
What are the key properties of 2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-5-hydroxy-1-methylpyridin-4-one?
2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-5-hydroxy-1-methylpyridin-4-one has a molecular weight of 358.83 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-5-hydroxy-1-methylpyridin-4-one is sourced from PubChem (CID 118707267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).