(E)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide

C24H21N3O3 — CID 110623379

IUPAC(E)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
SMILESO=C(/C=C/c1cc2ccccc2[nH]c1=O)Nc1ccc2c(c1)CCN2C(=O)C1CC1
InChIInChI=1S/C24H21N3O3/c28-22(10-7-18-13-16-3-1-2-4-20(16)26-23(18)29)25-19-8-9-21-17(14-19)11-12-27(21)24(30)15-5-6-15/h1-4,7-10,13-15H,5-6,11-12H2,(H,25,28)(H,26,29)/b10-7+
InChIKeyTUSRCFMHCCDABE-JXMROGBWSA-N
MW399.45 g/mol
LogP3.48
Rot. Bonds4

About (E)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide

(E)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide (PubChem CID 110623379) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is (E)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
PubChem CID110623379
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name(E)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
SMILESO=C(/C=C/c1cc2ccccc2[nH]c1=O)Nc1ccc2c(c1)CCN2C(=O)C1CC1
InChIInChI=1S/C24H21N3O3/c28-22(10-7-18-13-16-3-1-2-4-20(16)26-23(18)29)25-19-8-9-21-17(14-19)11-12-27(21)24(30)15-5-6-15/h1-4,7-10,13-15H,5-6,11-12H2,(H,25,28)(H,26,29)/b10-7+
InChIKeyTUSRCFMHCCDABE-JXMROGBWSA-N
XLogP3.48
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3,4-difluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110428944
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
CID 110623374
(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)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-bromophenyl)prop-2-enamide
CID 30495352
(E)-N-(2-fluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110420245
(E)-N-(2,4-difluorophenyl)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110426751
3-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]-1H-quinolin-2-one
CID 86812574
1-cyclohexyl-3-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]urea
CID 112506054
3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 110407799
3-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 110303825
4-[(E)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enoyl]piperazine-1-carbaldehyde
CID 110408570

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide (CID 110623379) is (E)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide is O=C(/C=C/c1cc2ccccc2[nH]c1=O)Nc1ccc2c(c1)CCN2C(=O)C1CC1.
What is the InChIKey of (E)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide?
The InChIKey is TUSRCFMHCCDABE-JXMROGBWSA-N. The full InChI is InChI=1S/C24H21N3O3/c28-22(10-7-18-13-16-3-1-2-4-20(16)26-23(18)29)25-19-8-9-21-17(14-19)11-12-27(21)24(30)15-5-6-15/h1-4,7-10,13-15H,5-6,11-12H2,(H,25,28)(H,26,29)/b10-7+.
What are the key properties of (E)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide?
(E)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide has a molecular weight of 399.45 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide is sourced from PubChem (CID 110623379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).