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

C20H21ClN4O2 — CID 118705908

IUPAC2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-1-cyclopropyl-5-hydroxypyridin-4-one
SMILESO=c1cc(CNCCNc2ccnc3cc(Cl)ccc23)n(C2CC2)cc1O
InChIInChI=1S/C20H21ClN4O2/c21-13-1-4-16-17(5-6-23-18(16)9-13)24-8-7-22-11-15-10-19(26)20(27)12-25(15)14-2-3-14/h1,4-6,9-10,12,14,22,27H,2-3,7-8,11H2,(H,23,24)
InChIKeyUNTNQNFGAKCMMM-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.29
Rot. Bonds7

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

2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-1-cyclopropyl-5-hydroxypyridin-4-one (PubChem CID 118705908) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-1-cyclopropyl-5-hydroxypyridin-4-one.

Molecular Properties

Compound Name2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-1-cyclopropyl-5-hydroxypyridin-4-one
PubChem CID118705908
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-1-cyclopropyl-5-hydroxypyridin-4-one
SMILESO=c1cc(CNCCNc2ccnc3cc(Cl)ccc23)n(C2CC2)cc1O
InChIInChI=1S/C20H21ClN4O2/c21-13-1-4-16-17(5-6-23-18(16)9-13)24-8-7-22-11-15-10-19(26)20(27)12-25(15)14-2-3-14/h1,4-6,9-10,12,14,22,27H,2-3,7-8,11H2,(H,23,24)
InChIKeyUNTNQNFGAKCMMM-UHFFFAOYSA-N
XLogP3.29
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-5-hydroxy-1-methylpyridin-4-one
CID 118707267
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
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
4-[(7-chloroquinolin-4-yl)amino]-N-cyclopropylbutanamide
CID 112730857
CID 66549609
CID 66549609
5-[(7-chloroquinolin-4-yl)amino]pentanamide
CID 106238925
3-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-4-methoxycyclobut-3-ene-1,2-dione
CID 73349406
6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride
CID 21424794
2-[(7-chloroquinolin-4-yl)amino]-1-cyclopropylethanol
CID 63296139
2-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]-4-methoxyphenol
CID 46222242
N-butyl-7-chloroquinolin-4-amine
CID 10037042

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-1-cyclopropyl-5-hydroxypyridin-4-one?
The IUPAC name of 2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-1-cyclopropyl-5-hydroxypyridin-4-one (CID 118705908) is 2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-1-cyclopropyl-5-hydroxypyridin-4-one.
What is the SMILES notation for 2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-1-cyclopropyl-5-hydroxypyridin-4-one?
The canonical SMILES for 2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-1-cyclopropyl-5-hydroxypyridin-4-one is O=c1cc(CNCCNc2ccnc3cc(Cl)ccc23)n(C2CC2)cc1O.
What is the InChIKey of 2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-1-cyclopropyl-5-hydroxypyridin-4-one?
The InChIKey is UNTNQNFGAKCMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c21-13-1-4-16-17(5-6-23-18(16)9-13)24-8-7-22-11-15-10-19(26)20(27)12-25(15)14-2-3-14/h1,4-6,9-10,12,14,22,27H,2-3,7-8,11H2,(H,23,24).
What are the key properties of 2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-1-cyclopropyl-5-hydroxypyridin-4-one?
2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-1-cyclopropyl-5-hydroxypyridin-4-one has a molecular weight of 384.87 g/mol, XLogP of 3.29, 7 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]-1-cyclopropyl-5-hydroxypyridin-4-one is sourced from PubChem (CID 118705908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).