8-methoxy-4-(2-methylanilino)-N-prop-2-enylquinoline-3-carboxamide

C21H21N3O2 — CID 10043297

IUPAC8-methoxy-4-(2-methylanilino)-N-prop-2-enylquinoline-3-carboxamide
SMILESC=CCNC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C
InChIInChI=1S/C21H21N3O2/c1-4-12-22-21(25)16-13-23-20-15(9-7-11-18(20)26-3)19(16)24-17-10-6-5-8-14(17)2/h4-11,13H,1,12H2,2-3H3,(H,22,25)(H,23,24)
InChIKeyJIWRVTPUPYKOQC-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.21
Rot. Bonds6

About 8-methoxy-4-(2-methylanilino)-N-prop-2-enylquinoline-3-carboxamide

8-methoxy-4-(2-methylanilino)-N-prop-2-enylquinoline-3-carboxamide (PubChem CID 10043297) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 8-methoxy-4-(2-methylanilino)-N-prop-2-enylquinoline-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-4-(2-methylanilino)-N-prop-2-enylquinoline-3-carboxamide
PubChem CID10043297
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name8-methoxy-4-(2-methylanilino)-N-prop-2-enylquinoline-3-carboxamide
SMILESC=CCNC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C
InChIInChI=1S/C21H21N3O2/c1-4-12-22-21(25)16-13-23-20-15(9-7-11-18(20)26-3)19(16)24-17-10-6-5-8-14(17)2/h4-11,13H,1,12H2,2-3H3,(H,22,25)(H,23,24)
InChIKeyJIWRVTPUPYKOQC-UHFFFAOYSA-N
XLogP4.21
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-(2-methylanilino)-N-prop-2-enylquinoline-3-carboxamide?
The IUPAC name of 8-methoxy-4-(2-methylanilino)-N-prop-2-enylquinoline-3-carboxamide (CID 10043297) is 8-methoxy-4-(2-methylanilino)-N-prop-2-enylquinoline-3-carboxamide.
What is the SMILES notation for 8-methoxy-4-(2-methylanilino)-N-prop-2-enylquinoline-3-carboxamide?
The canonical SMILES for 8-methoxy-4-(2-methylanilino)-N-prop-2-enylquinoline-3-carboxamide is C=CCNC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C.
What is the InChIKey of 8-methoxy-4-(2-methylanilino)-N-prop-2-enylquinoline-3-carboxamide?
The InChIKey is JIWRVTPUPYKOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-4-12-22-21(25)16-13-23-20-15(9-7-11-18(20)26-3)19(16)24-17-10-6-5-8-14(17)2/h4-11,13H,1,12H2,2-3H3,(H,22,25)(H,23,24).
What are the key properties of 8-methoxy-4-(2-methylanilino)-N-prop-2-enylquinoline-3-carboxamide?
8-methoxy-4-(2-methylanilino)-N-prop-2-enylquinoline-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-(2-methylanilino)-N-prop-2-enylquinoline-3-carboxamide is sourced from PubChem (CID 10043297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).