5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-1,3-dihydroindol-2-one

C18H18N2O3 — CID 45244761

IUPAC5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-1,3-dihydroindol-2-one
SMILESCOc1cccc2c1OCC(Nc1ccc3c(c1)CC(=O)N3)C2
InChIInChI=1S/C18H18N2O3/c1-22-16-4-2-3-11-7-14(10-23-18(11)16)19-13-5-6-15-12(8-13)9-17(21)20-15/h2-6,8,14,19H,7,9-10H2,1H3,(H,20,21)
InChIKeyABKRISSGRSGGRO-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.61
Rot. Bonds3

About 5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-1,3-dihydroindol-2-one

5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-1,3-dihydroindol-2-one (PubChem CID 45244761) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-1,3-dihydroindol-2-one
PubChem CID45244761
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-1,3-dihydroindol-2-one
SMILESCOc1cccc2c1OCC(Nc1ccc3c(c1)CC(=O)N3)C2
InChIInChI=1S/C18H18N2O3/c1-22-16-4-2-3-11-7-14(10-23-18(11)16)19-13-5-6-15-12(8-13)9-17(21)20-15/h2-6,8,14,19H,7,9-10H2,1H3,(H,20,21)
InChIKeyABKRISSGRSGGRO-UHFFFAOYSA-N
XLogP2.61
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 97000804
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine
CID 56824753
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-4,5,6-trimethylpyrimidin-2-amine
CID 163313873
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide
CID 93072784
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137222532
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
CID 53209975
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 97208878
4-[(2-oxo-1,3-dihydroindol-5-yl)amino]cyclohexane-1-carbonitrile
CID 115149980
4-acetyl-N-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,4-diazepane-1-carboxamide
CID 95568985
8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine
CID 86806743
(3S)-8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine
CID 99778884
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-2H-benzotriazole-5-carboxamide
CID 129396888

Frequently Asked Questions

What is the IUPAC name of 5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-1,3-dihydroindol-2-one (CID 45244761) is 5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-1,3-dihydroindol-2-one is COc1cccc2c1OCC(Nc1ccc3c(c1)CC(=O)N3)C2.
What is the InChIKey of 5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-1,3-dihydroindol-2-one?
The InChIKey is ABKRISSGRSGGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-22-16-4-2-3-11-7-14(10-23-18(11)16)19-13-5-6-15-12(8-13)9-17(21)20-15/h2-6,8,14,19H,7,9-10H2,1H3,(H,20,21).
What are the key properties of 5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-1,3-dihydroindol-2-one?
5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-1,3-dihydroindol-2-one has a molecular weight of 310.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 45244761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).