8-[(3,5-dichloro-2-methoxy-4-pyridinyl)methoxy]-N-ethenyl-2-methyl-N-[(Z)-prop-1-enyl]quinolin-4-amine

C22H21Cl2N3O2 — CID 89018042

IUPAC8-[(3,5-dichloro-2-methoxy-4-pyridinyl)methoxy]-N-ethenyl-2-methyl-N-[(Z)-prop-1-enyl]quinolin-4-amine
SMILESC=CN(/C=C\C)c1cc(C)nc2c(OCc3c(Cl)cnc(OC)c3Cl)cccc12
InChIInChI=1S/C22H21Cl2N3O2/c1-5-10-27(6-2)18-11-14(3)26-21-15(18)8-7-9-19(21)29-13-16-17(23)12-25-22(28-4)20(16)24/h5-12H,2,13H2,1,3-4H3/b10-5-
InChIKeyYOJDPSDGTJIAFL-YHYXMXQVSA-N
MW430.34 g/mol
LogP6.32
Rot. Bonds7

About 8-[(3,5-dichloro-2-methoxy-4-pyridinyl)methoxy]-N-ethenyl-2-methyl-N-[(Z)-prop-1-enyl]quinolin-4-amine

8-[(3,5-dichloro-2-methoxy-4-pyridinyl)methoxy]-N-ethenyl-2-methyl-N-[(Z)-prop-1-enyl]quinolin-4-amine (PubChem CID 89018042) has the molecular formula C22H21Cl2N3O2 and a molecular weight of 430.34 g/mol. Its IUPAC name is 8-[(3,5-dichloro-2-methoxy-4-pyridinyl)methoxy]-N-ethenyl-2-methyl-N-[(Z)-prop-1-enyl]quinolin-4-amine.

Molecular Properties

Compound Name8-[(3,5-dichloro-2-methoxy-4-pyridinyl)methoxy]-N-ethenyl-2-methyl-N-[(Z)-prop-1-enyl]quinolin-4-amine
PubChem CID89018042
Molecular FormulaC22H21Cl2N3O2
Molecular Weight430.34 g/mol
Exact Mass429.10
IUPAC Name8-[(3,5-dichloro-2-methoxy-4-pyridinyl)methoxy]-N-ethenyl-2-methyl-N-[(Z)-prop-1-enyl]quinolin-4-amine
SMILESC=CN(/C=C\C)c1cc(C)nc2c(OCc3c(Cl)cnc(OC)c3Cl)cccc12
InChIInChI=1S/C22H21Cl2N3O2/c1-5-10-27(6-2)18-11-14(3)26-21-15(18)8-7-9-19(21)29-13-16-17(23)12-25-22(28-4)20(16)24/h5-12H,2,13H2,1,3-4H3/b10-5-
InChIKeyYOJDPSDGTJIAFL-YHYXMXQVSA-N
XLogP6.32
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.34
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(3,5-dichloro-2-methoxy-4-pyridinyl)methoxy]-N-ethenyl-2-methyl-N-[(Z)-prop-1-enyl]quinolin-4-amine?
The IUPAC name of 8-[(3,5-dichloro-2-methoxy-4-pyridinyl)methoxy]-N-ethenyl-2-methyl-N-[(Z)-prop-1-enyl]quinolin-4-amine (CID 89018042) is 8-[(3,5-dichloro-2-methoxy-4-pyridinyl)methoxy]-N-ethenyl-2-methyl-N-[(Z)-prop-1-enyl]quinolin-4-amine.
What is the SMILES notation for 8-[(3,5-dichloro-2-methoxy-4-pyridinyl)methoxy]-N-ethenyl-2-methyl-N-[(Z)-prop-1-enyl]quinolin-4-amine?
The canonical SMILES for 8-[(3,5-dichloro-2-methoxy-4-pyridinyl)methoxy]-N-ethenyl-2-methyl-N-[(Z)-prop-1-enyl]quinolin-4-amine is C=CN(/C=C\C)c1cc(C)nc2c(OCc3c(Cl)cnc(OC)c3Cl)cccc12.
What is the InChIKey of 8-[(3,5-dichloro-2-methoxy-4-pyridinyl)methoxy]-N-ethenyl-2-methyl-N-[(Z)-prop-1-enyl]quinolin-4-amine?
The InChIKey is YOJDPSDGTJIAFL-YHYXMXQVSA-N. The full InChI is InChI=1S/C22H21Cl2N3O2/c1-5-10-27(6-2)18-11-14(3)26-21-15(18)8-7-9-19(21)29-13-16-17(23)12-25-22(28-4)20(16)24/h5-12H,2,13H2,1,3-4H3/b10-5-.
What are the key properties of 8-[(3,5-dichloro-2-methoxy-4-pyridinyl)methoxy]-N-ethenyl-2-methyl-N-[(Z)-prop-1-enyl]quinolin-4-amine?
8-[(3,5-dichloro-2-methoxy-4-pyridinyl)methoxy]-N-ethenyl-2-methyl-N-[(Z)-prop-1-enyl]quinolin-4-amine has a molecular weight of 430.34 g/mol, XLogP of 6.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,5-dichloro-2-methoxy-4-pyridinyl)methoxy]-N-ethenyl-2-methyl-N-[(Z)-prop-1-enyl]quinolin-4-amine is sourced from PubChem (CID 89018042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).