1-(4-methoxyphenyl)-3-(quinolin-8-ylamino)prop-2-en-1-one

C19H16N2O2 — CID 598063

IUPAC1-(4-methoxyphenyl)-3-(quinolin-8-ylamino)prop-2-en-1-one
SMILESCOc1ccc(C(=O)C=CNc2cccc3cccnc23)cc1
InChIInChI=1S/C19H16N2O2/c1-23-16-9-7-14(8-10-16)18(22)11-13-20-17-6-2-4-15-5-3-12-21-19(15)17/h2-13,20H,1H3
InChIKeySAAQWJCSVIHOFY-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.05
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-(quinolin-8-ylamino)prop-2-en-1-one

1-(4-methoxyphenyl)-3-(quinolin-8-ylamino)prop-2-en-1-one (PubChem CID 598063) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(quinolin-8-ylamino)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(quinolin-8-ylamino)prop-2-en-1-one
PubChem CID598063
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name1-(4-methoxyphenyl)-3-(quinolin-8-ylamino)prop-2-en-1-one
SMILESCOc1ccc(C(=O)C=CNc2cccc3cccnc23)cc1
InChIInChI=1S/C19H16N2O2/c1-23-16-9-7-14(8-10-16)18(22)11-13-20-17-6-2-4-15-5-3-12-21-19(15)17/h2-13,20H,1H3
InChIKeySAAQWJCSVIHOFY-UHFFFAOYSA-N
XLogP4.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 758643
methyl 2-[[(Z)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]amino]benzoate
CID 101360662
4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 952487
(E)-1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)amino]prop-2-en-1-one
CID 162787515
(E)-3-(2-chloro-5-methoxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 27013706
1-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-one
CID 135086544
2,6-bis(4-methoxyphenyl)-N-quinolin-8-ylbenzamide
CID 139200312
(Z)-4-(4-methoxyphenyl)-3-phenyl-N-quinolin-8-ylbut-3-enamide
CID 166440512
3-[[(Z)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]amino]benzoate
CID 7348792
3-(2-chloro-5-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 818487
(E)-3-(4-chloro-2-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 6188155
3-(4-chloro-2-hydroxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 870858

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(quinolin-8-ylamino)prop-2-en-1-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-(quinolin-8-ylamino)prop-2-en-1-one (CID 598063) is 1-(4-methoxyphenyl)-3-(quinolin-8-ylamino)prop-2-en-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(quinolin-8-ylamino)prop-2-en-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(quinolin-8-ylamino)prop-2-en-1-one is COc1ccc(C(=O)C=CNc2cccc3cccnc23)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(quinolin-8-ylamino)prop-2-en-1-one?
The InChIKey is SAAQWJCSVIHOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-23-16-9-7-14(8-10-16)18(22)11-13-20-17-6-2-4-15-5-3-12-21-19(15)17/h2-13,20H,1H3.
What are the key properties of 1-(4-methoxyphenyl)-3-(quinolin-8-ylamino)prop-2-en-1-one?
1-(4-methoxyphenyl)-3-(quinolin-8-ylamino)prop-2-en-1-one has a molecular weight of 304.35 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(quinolin-8-ylamino)prop-2-en-1-one is sourced from PubChem (CID 598063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).