1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine

C21H38ClN5 — CID 153353135

IUPAC1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine
SMILESCC.CCN(CCN)CCCC(C)Nc1ccnc2cc(Cl)ccc12.CN
InChIInChI=1S/C18H27ClN4.C2H6.CH5N/c1-3-23(12-9-20)11-4-5-14(2)22-17-8-10-21-18-13-15(19)6-7-16(17)18;2*1-2/h6-8,10,13-14H,3-5,9,11-12,20H2,1-2H3,(H,21,22);1-2H3;2H2,1H3
InChIKeyYFGKMILDDHXRLR-UHFFFAOYSA-N
MW396.02 g/mol
LogP4.35
Rot. Bonds9

About 1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine

1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine (PubChem CID 153353135) has the molecular formula C21H38ClN5 and a molecular weight of 396.02 g/mol. Its IUPAC name is 1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine.

Molecular Properties

Compound Name1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine
PubChem CID153353135
Molecular FormulaC21H38ClN5
Molecular Weight396.02 g/mol
Exact Mass395.28
IUPAC Name1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine
SMILESCC.CCN(CCN)CCCC(C)Nc1ccnc2cc(Cl)ccc12.CN
InChIInChI=1S/C18H27ClN4.C2H6.CH5N/c1-3-23(12-9-20)11-4-5-14(2)22-17-8-10-21-18-13-15(19)6-7-16(17)18;2*1-2/h6-8,10,13-14H,3-5,9,11-12,20H2,1-2H3,(H,21,22);1-2H3;2H2,1H3
InChIKeyYFGKMILDDHXRLR-UHFFFAOYSA-N
XLogP4.35
TPSA80.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.02
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine with MolForge

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Related Compounds

4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-pentylpentane-1,4-diamine
CID 178050529
3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine
CID 10267118
2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol;phosphoric acid
CID 71586887
2-[[(4S)-4-[(7-chloroquinolin-4-yl)amino]pentyl]-ethylamino]-1,1,2,2-tetradeuterioethanol
CID 171394724
butanedioic acid;4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 69171566
4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-[2-(prop-1-en-2-ylamino)oxyethyl]pentane-1,4-diamine
CID 146188349
CID 134081808
CID 134081808
4-N-(7-chloro-3-tritioquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 10087451
(2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 11666461
2-[[(4R)-4-[(7-chloroquinolin-4-yl)amino]pentyl]-ethylamino]ethyl bis(2,2,2-trifluoroethyl) phosphate
CID 155670045
1-N,1-N-diethyl-4-N-(7-ethylquinolin-4-yl)pentane-1,4-diamine
CID 170239569
2-[[(4S)-4-[(7-chloroquinolin-4-yl)amino]pentyl]-(1,1,2,2,2-pentadeuterioethyl)amino]ethanol
CID 169441702

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine?
The IUPAC name of 1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine (CID 153353135) is 1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine.
What is the SMILES notation for 1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine?
The canonical SMILES for 1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine is CC.CCN(CCN)CCCC(C)Nc1ccnc2cc(Cl)ccc12.CN.
What is the InChIKey of 1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine?
The InChIKey is YFGKMILDDHXRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4.C2H6.CH5N/c1-3-23(12-9-20)11-4-5-14(2)22-17-8-10-21-18-13-15(19)6-7-16(17)18;2*1-2/h6-8,10,13-14H,3-5,9,11-12,20H2,1-2H3,(H,21,22);1-2H3;2H2,1H3.
What are the key properties of 1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine?
1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine has a molecular weight of 396.02 g/mol, XLogP of 4.35, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine is sourced from PubChem (CID 153353135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).