(Z)-N-[4-(methylcarbamoylamino)phenyl]-3-quinolin-4-ylprop-2-enamide

C20H18N4O2 — CID 97359293

IUPAC(Z)-N-[4-(methylcarbamoylamino)phenyl]-3-quinolin-4-ylprop-2-enamide
SMILESCNC(=O)Nc1ccc(NC(=O)/C=C\c2ccnc3ccccc23)cc1
InChIInChI=1S/C20H18N4O2/c1-21-20(26)24-16-9-7-15(8-10-16)23-19(25)11-6-14-12-13-22-18-5-3-2-4-17(14)18/h2-13H,1H3,(H,23,25)(H2,21,24,26)/b11-6-
InChIKeyGSLSNZCLPPFKSA-WDZFZDKYSA-N
MW346.39 g/mol
LogP3.64
Rot. Bonds4

About (Z)-N-[4-(methylcarbamoylamino)phenyl]-3-quinolin-4-ylprop-2-enamide

(Z)-N-[4-(methylcarbamoylamino)phenyl]-3-quinolin-4-ylprop-2-enamide (PubChem CID 97359293) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is (Z)-N-[4-(methylcarbamoylamino)phenyl]-3-quinolin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[4-(methylcarbamoylamino)phenyl]-3-quinolin-4-ylprop-2-enamide
PubChem CID97359293
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name(Z)-N-[4-(methylcarbamoylamino)phenyl]-3-quinolin-4-ylprop-2-enamide
SMILESCNC(=O)Nc1ccc(NC(=O)/C=C\c2ccnc3ccccc23)cc1
InChIInChI=1S/C20H18N4O2/c1-21-20(26)24-16-9-7-15(8-10-16)23-19(25)11-6-14-12-13-22-18-5-3-2-4-17(14)18/h2-13H,1H3,(H,23,25)(H2,21,24,26)/b11-6-
InChIKeyGSLSNZCLPPFKSA-WDZFZDKYSA-N
XLogP3.64
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-(methylcarbamoylamino)phenyl]-3-quinolin-4-ylprop-2-enamide?
The IUPAC name of (Z)-N-[4-(methylcarbamoylamino)phenyl]-3-quinolin-4-ylprop-2-enamide (CID 97359293) is (Z)-N-[4-(methylcarbamoylamino)phenyl]-3-quinolin-4-ylprop-2-enamide.
What is the SMILES notation for (Z)-N-[4-(methylcarbamoylamino)phenyl]-3-quinolin-4-ylprop-2-enamide?
The canonical SMILES for (Z)-N-[4-(methylcarbamoylamino)phenyl]-3-quinolin-4-ylprop-2-enamide is CNC(=O)Nc1ccc(NC(=O)/C=C\c2ccnc3ccccc23)cc1.
What is the InChIKey of (Z)-N-[4-(methylcarbamoylamino)phenyl]-3-quinolin-4-ylprop-2-enamide?
The InChIKey is GSLSNZCLPPFKSA-WDZFZDKYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-21-20(26)24-16-9-7-15(8-10-16)23-19(25)11-6-14-12-13-22-18-5-3-2-4-17(14)18/h2-13H,1H3,(H,23,25)(H2,21,24,26)/b11-6-.
What are the key properties of (Z)-N-[4-(methylcarbamoylamino)phenyl]-3-quinolin-4-ylprop-2-enamide?
(Z)-N-[4-(methylcarbamoylamino)phenyl]-3-quinolin-4-ylprop-2-enamide has a molecular weight of 346.39 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-(methylcarbamoylamino)phenyl]-3-quinolin-4-ylprop-2-enamide is sourced from PubChem (CID 97359293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).