N-(7-chloroquinolin-4-yl)-N'-[2-(diethylamino)ethyl]-2-methylpropanimidamide

C19H27ClN4 — CID 118735280

IUPACN-(7-chloroquinolin-4-yl)-N'-[2-(diethylamino)ethyl]-2-methylpropanimidamide
SMILESCCN(CC)CC/N=C(/Nc1ccnc2cc(Cl)ccc12)C(C)C
InChIInChI=1S/C19H27ClN4/c1-5-24(6-2)12-11-22-19(14(3)4)23-17-9-10-21-18-13-15(20)7-8-16(17)18/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,21,22,23)
InChIKeyOHQOMVXTBSZIFH-UHFFFAOYSA-N
MW346.91 g/mol
LogP4.70
Rot. Bonds7

About N-(7-chloroquinolin-4-yl)-N'-[2-(diethylamino)ethyl]-2-methylpropanimidamide

N-(7-chloroquinolin-4-yl)-N'-[2-(diethylamino)ethyl]-2-methylpropanimidamide (PubChem CID 118735280) has the molecular formula C19H27ClN4 and a molecular weight of 346.91 g/mol. Its IUPAC name is N-(7-chloroquinolin-4-yl)-N'-[2-(diethylamino)ethyl]-2-methylpropanimidamide.

Molecular Properties

Compound NameN-(7-chloroquinolin-4-yl)-N'-[2-(diethylamino)ethyl]-2-methylpropanimidamide
PubChem CID118735280
Molecular FormulaC19H27ClN4
Molecular Weight346.91 g/mol
Exact Mass346.19
IUPAC NameN-(7-chloroquinolin-4-yl)-N'-[2-(diethylamino)ethyl]-2-methylpropanimidamide
SMILESCCN(CC)CC/N=C(/Nc1ccnc2cc(Cl)ccc12)C(C)C
InChIInChI=1S/C19H27ClN4/c1-5-24(6-2)12-11-22-19(14(3)4)23-17-9-10-21-18-13-15(20)7-8-16(17)18/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,21,22,23)
InChIKeyOHQOMVXTBSZIFH-UHFFFAOYSA-N
XLogP4.70
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.91
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine
CID 10267118
(2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 11666461
butanedioic acid;4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 69171566
N-(7-chloroquinolin-4-yl)-N',N'-diethylbutane-1,4-diamine;phosphoric acid
CID 54601191
4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-pentylpentane-1,4-diamine
CID 178050529
CID 134081808
CID 134081808
2-[[(4S)-4-[(7-chloroquinolin-4-yl)amino]pentyl]-ethylamino]-1,1,2,2-tetradeuterioethanol
CID 171394724
1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine
CID 153353135
4-N-(7-chloro-3-tritioquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 10087451
N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62639989
2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol;phosphoric acid
CID 71586887
7-chloro-N-[3-(diethylaminomethyl)-4-methylphenyl]quinolin-4-amine
CID 24774700

Frequently Asked Questions

What is the IUPAC name of N-(7-chloroquinolin-4-yl)-N'-[2-(diethylamino)ethyl]-2-methylpropanimidamide?
The IUPAC name of N-(7-chloroquinolin-4-yl)-N'-[2-(diethylamino)ethyl]-2-methylpropanimidamide (CID 118735280) is N-(7-chloroquinolin-4-yl)-N'-[2-(diethylamino)ethyl]-2-methylpropanimidamide.
What is the SMILES notation for N-(7-chloroquinolin-4-yl)-N'-[2-(diethylamino)ethyl]-2-methylpropanimidamide?
The canonical SMILES for N-(7-chloroquinolin-4-yl)-N'-[2-(diethylamino)ethyl]-2-methylpropanimidamide is CCN(CC)CC/N=C(/Nc1ccnc2cc(Cl)ccc12)C(C)C.
What is the InChIKey of N-(7-chloroquinolin-4-yl)-N'-[2-(diethylamino)ethyl]-2-methylpropanimidamide?
The InChIKey is OHQOMVXTBSZIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4/c1-5-24(6-2)12-11-22-19(14(3)4)23-17-9-10-21-18-13-15(20)7-8-16(17)18/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,21,22,23).
What are the key properties of N-(7-chloroquinolin-4-yl)-N'-[2-(diethylamino)ethyl]-2-methylpropanimidamide?
N-(7-chloroquinolin-4-yl)-N'-[2-(diethylamino)ethyl]-2-methylpropanimidamide has a molecular weight of 346.91 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloroquinolin-4-yl)-N'-[2-(diethylamino)ethyl]-2-methylpropanimidamide is sourced from PubChem (CID 118735280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).