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

C27H23Cl2N3O — CID 89229064

IUPAC8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methyl-N-(1-phenylethenyl)-N-[(Z)-prop-1-enyl]quinolin-4-amine
SMILESC=C(c1ccccc1)N(/C=C\C)c1cc(C)nc2c(OCc3c(Cl)cncc3Cl)cccc12
InChIInChI=1S/C27H23Cl2N3O/c1-4-13-32(19(3)20-9-6-5-7-10-20)25-14-18(2)31-27-21(25)11-8-12-26(27)33-17-22-23(28)15-30-16-24(22)29/h4-16H,3,17H2,1-2H3/b13-4-
InChIKeyJWXCMQQMJAOCRU-PQMHYQBVSA-N
MW476.41 g/mol
LogP7.83
Rot. Bonds7

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

8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methyl-N-(1-phenylethenyl)-N-[(Z)-prop-1-enyl]quinolin-4-amine (PubChem CID 89229064) has the molecular formula C27H23Cl2N3O and a molecular weight of 476.41 g/mol. Its IUPAC name is 8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methyl-N-(1-phenylethenyl)-N-[(Z)-prop-1-enyl]quinolin-4-amine.

Molecular Properties

Compound Name8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methyl-N-(1-phenylethenyl)-N-[(Z)-prop-1-enyl]quinolin-4-amine
PubChem CID89229064
Molecular FormulaC27H23Cl2N3O
Molecular Weight476.41 g/mol
Exact Mass475.12
IUPAC Name8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methyl-N-(1-phenylethenyl)-N-[(Z)-prop-1-enyl]quinolin-4-amine
SMILESC=C(c1ccccc1)N(/C=C\C)c1cc(C)nc2c(OCc3c(Cl)cncc3Cl)cccc12
InChIInChI=1S/C27H23Cl2N3O/c1-4-13-32(19(3)20-9-6-5-7-10-20)25-14-18(2)31-27-21(25)11-8-12-26(27)33-17-22-23(28)15-30-16-24(22)29/h4-16H,3,17H2,1-2H3/b13-4-
InChIKeyJWXCMQQMJAOCRU-PQMHYQBVSA-N
XLogP7.83
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.41
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methyl-N-(1-phenylethenyl)-N-[(Z)-prop-1-enyl]quinolin-4-amine?
The IUPAC name of 8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methyl-N-(1-phenylethenyl)-N-[(Z)-prop-1-enyl]quinolin-4-amine (CID 89229064) is 8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methyl-N-(1-phenylethenyl)-N-[(Z)-prop-1-enyl]quinolin-4-amine.
What is the SMILES notation for 8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methyl-N-(1-phenylethenyl)-N-[(Z)-prop-1-enyl]quinolin-4-amine?
The canonical SMILES for 8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methyl-N-(1-phenylethenyl)-N-[(Z)-prop-1-enyl]quinolin-4-amine is C=C(c1ccccc1)N(/C=C\C)c1cc(C)nc2c(OCc3c(Cl)cncc3Cl)cccc12.
What is the InChIKey of 8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methyl-N-(1-phenylethenyl)-N-[(Z)-prop-1-enyl]quinolin-4-amine?
The InChIKey is JWXCMQQMJAOCRU-PQMHYQBVSA-N. The full InChI is InChI=1S/C27H23Cl2N3O/c1-4-13-32(19(3)20-9-6-5-7-10-20)25-14-18(2)31-27-21(25)11-8-12-26(27)33-17-22-23(28)15-30-16-24(22)29/h4-16H,3,17H2,1-2H3/b13-4-.
What are the key properties of 8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methyl-N-(1-phenylethenyl)-N-[(Z)-prop-1-enyl]quinolin-4-amine?
8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methyl-N-(1-phenylethenyl)-N-[(Z)-prop-1-enyl]quinolin-4-amine has a molecular weight of 476.41 g/mol, XLogP of 7.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methyl-N-(1-phenylethenyl)-N-[(Z)-prop-1-enyl]quinolin-4-amine is sourced from PubChem (CID 89229064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).