N-[6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine

C21H24N4O — CID 162647181

IUPACN-[6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc2nc(/C=C/c3cccnc3)cc(NCCN(C)C)c2c1
InChIInChI=1S/C21H24N4O/c1-25(2)12-11-23-21-13-17(7-6-16-5-4-10-22-15-16)24-20-9-8-18(26-3)14-19(20)21/h4-10,13-15H,11-12H2,1-3H3,(H,23,24)/b7-6+
InChIKeyPTMMJIOMDOMGHP-VOTSOKGWSA-N
MW348.45 g/mol
LogP3.78
Rot. Bonds7

About N-[6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine

N-[6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 162647181) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID162647181
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc2nc(/C=C/c3cccnc3)cc(NCCN(C)C)c2c1
InChIInChI=1S/C21H24N4O/c1-25(2)12-11-23-21-13-17(7-6-16-5-4-10-22-15-16)24-20-9-8-18(26-3)14-19(20)21/h4-10,13-15H,11-12H2,1-3H3,(H,23,24)/b7-6+
InChIKeyPTMMJIOMDOMGHP-VOTSOKGWSA-N
XLogP3.78
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 162647181) is N-[6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine is COc1ccc2nc(/C=C/c3cccnc3)cc(NCCN(C)C)c2c1.
What is the InChIKey of N-[6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is PTMMJIOMDOMGHP-VOTSOKGWSA-N. The full InChI is InChI=1S/C21H24N4O/c1-25(2)12-11-23-21-13-17(7-6-16-5-4-10-22-15-16)24-20-9-8-18(26-3)14-19(20)21/h4-10,13-15H,11-12H2,1-3H3,(H,23,24)/b7-6+.
What are the key properties of N-[6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 348.45 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-2-[(E)-2-pyridin-3-ylethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 162647181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).