N-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine

C20H21ClN4 — CID 141327074

IUPACN-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cc(/C=C/c2ccncc2)nc2ccc(Cl)cc12
InChIInChI=1S/C20H21ClN4/c1-25(2)12-11-23-20-14-17(5-3-15-7-9-22-10-8-15)24-19-6-4-16(21)13-18(19)20/h3-10,13-14H,11-12H2,1-2H3,(H,23,24)/b5-3+
InChIKeySLARMCAQSLLMQU-HWKANZROSA-N
MW352.87 g/mol
LogP4.43
Rot. Bonds6

About N-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine

N-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 141327074) has the molecular formula C20H21ClN4 and a molecular weight of 352.87 g/mol. Its IUPAC name is N-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID141327074
Molecular FormulaC20H21ClN4
Molecular Weight352.87 g/mol
Exact Mass352.15
IUPAC NameN-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cc(/C=C/c2ccncc2)nc2ccc(Cl)cc12
InChIInChI=1S/C20H21ClN4/c1-25(2)12-11-23-20-14-17(5-3-15-7-9-22-10-8-15)24-19-6-4-16(21)13-18(19)20/h3-10,13-14H,11-12H2,1-2H3,(H,23,24)/b5-3+
InChIKeySLARMCAQSLLMQU-HWKANZROSA-N
XLogP4.43
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 141327074) is N-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1cc(/C=C/c2ccncc2)nc2ccc(Cl)cc12.
What is the InChIKey of N-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is SLARMCAQSLLMQU-HWKANZROSA-N. The full InChI is InChI=1S/C20H21ClN4/c1-25(2)12-11-23-20-14-17(5-3-15-7-9-22-10-8-15)24-19-6-4-16(21)13-18(19)20/h3-10,13-14H,11-12H2,1-2H3,(H,23,24)/b5-3+.
What are the key properties of N-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 352.87 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 141327074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).