(E)-N-[(2-methyl-1H-indol-5-yl)methyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide

C22H19N3O2 — CID 110613526

IUPAC(E)-N-[(2-methyl-1H-indol-5-yl)methyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
SMILESCc1cc2cc(CNC(=O)/C=C/c3cc4ccccc4[nH]c3=O)ccc2[nH]1
InChIInChI=1S/C22H19N3O2/c1-14-10-18-11-15(6-8-20(18)24-14)13-23-21(26)9-7-17-12-16-4-2-3-5-19(16)25-22(17)27/h2-12,24H,13H2,1H3,(H,23,26)(H,25,27)/b9-7+
InChIKeySPRXNYZBABXUFN-VQHVLOKHSA-N
MW357.41 g/mol
LogP3.65
Rot. Bonds4

About (E)-N-[(2-methyl-1H-indol-5-yl)methyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide

(E)-N-[(2-methyl-1H-indol-5-yl)methyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide (PubChem CID 110613526) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is (E)-N-[(2-methyl-1H-indol-5-yl)methyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2-methyl-1H-indol-5-yl)methyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
PubChem CID110613526
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name(E)-N-[(2-methyl-1H-indol-5-yl)methyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
SMILESCc1cc2cc(CNC(=O)/C=C/c3cc4ccccc4[nH]c3=O)ccc2[nH]1
InChIInChI=1S/C22H19N3O2/c1-14-10-18-11-15(6-8-20(18)24-14)13-23-21(26)9-7-17-12-16-4-2-3-5-19(16)25-22(17)27/h2-12,24H,13H2,1H3,(H,23,26)(H,25,27)/b9-7+
InChIKeySPRXNYZBABXUFN-VQHVLOKHSA-N
XLogP3.65
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(4-chlorophenyl)ethyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110412791
(E)-N-[4-(4-methoxyphenyl)butyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110627981
(2-methyl-1H-indol-5-yl)methylcarbamic acid
CID 118078535
(E)-N-(3-acetamidophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110423772
ethyl 4-[[(E)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enoyl]amino]benzoate
CID 110426664
(E)-2-methyl-N-[(2-methyl-1H-indol-5-yl)methyl]-3-phenylprop-2-enamide
CID 110425618
(E)-N-(2-fluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110420245
3-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096420
4-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1H-indol-5-yl)methyl]butanamide
CID 110427774
(2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide
CID 7158869
1-tert-butyl-3-[(2-methyl-1H-indol-5-yl)methyl]urea
CID 110668194
2-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110616680

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-methyl-1H-indol-5-yl)methyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-[(2-methyl-1H-indol-5-yl)methyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide (CID 110613526) is (E)-N-[(2-methyl-1H-indol-5-yl)methyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(2-methyl-1H-indol-5-yl)methyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[(2-methyl-1H-indol-5-yl)methyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide is Cc1cc2cc(CNC(=O)/C=C/c3cc4ccccc4[nH]c3=O)ccc2[nH]1.
What is the InChIKey of (E)-N-[(2-methyl-1H-indol-5-yl)methyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide?
The InChIKey is SPRXNYZBABXUFN-VQHVLOKHSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-14-10-18-11-15(6-8-20(18)24-14)13-23-21(26)9-7-17-12-16-4-2-3-5-19(16)25-22(17)27/h2-12,24H,13H2,1H3,(H,23,26)(H,25,27)/b9-7+.
What are the key properties of (E)-N-[(2-methyl-1H-indol-5-yl)methyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide?
(E)-N-[(2-methyl-1H-indol-5-yl)methyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide has a molecular weight of 357.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-methyl-1H-indol-5-yl)methyl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide is sourced from PubChem (CID 110613526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).