3-ethyl-2-[[(3S)-2-oxo-1,3-dihydroindol-3-yl]methyl]quinazolin-4-one

C19H17N3O2 — CID 7385500

IUPAC3-ethyl-2-[[(3S)-2-oxo-1,3-dihydroindol-3-yl]methyl]quinazolin-4-one
SMILESCCn1c(C[C@@H]2C(=O)Nc3ccccc32)nc2ccccc2c1=O
InChIInChI=1S/C19H17N3O2/c1-2-22-17(20-16-10-6-4-8-13(16)19(22)24)11-14-12-7-3-5-9-15(12)21-18(14)23/h3-10,14H,2,11H2,1H3,(H,21,23)/t14-/m0/s1
InChIKeyWCBBWJXRDSFYOP-AWEZNQCLSA-N
MW319.36 g/mol
LogP2.69
Rot. Bonds3

About 3-ethyl-2-[[(3S)-2-oxo-1,3-dihydroindol-3-yl]methyl]quinazolin-4-one

3-ethyl-2-[[(3S)-2-oxo-1,3-dihydroindol-3-yl]methyl]quinazolin-4-one (PubChem CID 7385500) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-ethyl-2-[[(3S)-2-oxo-1,3-dihydroindol-3-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[[(3S)-2-oxo-1,3-dihydroindol-3-yl]methyl]quinazolin-4-one
PubChem CID7385500
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name3-ethyl-2-[[(3S)-2-oxo-1,3-dihydroindol-3-yl]methyl]quinazolin-4-one
SMILESCCn1c(C[C@@H]2C(=O)Nc3ccccc32)nc2ccccc2c1=O
InChIInChI=1S/C19H17N3O2/c1-2-22-17(20-16-10-6-4-8-13(16)19(22)24)11-14-12-7-3-5-9-15(12)21-18(14)23/h3-10,14H,2,11H2,1H3,(H,21,23)/t14-/m0/s1
InChIKeyWCBBWJXRDSFYOP-AWEZNQCLSA-N
XLogP2.69
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-2-[[(3S)-2-oxo-1,3-dihydroindol-3-yl]methyl]quinazolin-4-one with MolForge

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Related Compounds

2-[[(3R)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-(2-phenylethyl)quinazolin-4-one
CID 27245194
2-[(5-bromo-1-ethyl-2-oxo-3H-indol-3-yl)methyl]-3-ethylquinazolin-4-one
CID 23606632
2-[[(3R)-5-bromo-1-ethyl-2-oxo-3H-indol-3-yl]methyl]-3-ethylquinazolin-4-one
CID 92716945
2-[[(3R)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-phenylquinazolin-4-one
CID 1127147
2-[[(3R)-5-bromo-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]-3-ethylquinazolin-4-one
CID 98221961
3-ethyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]quinazolin-4-one
CID 92589759
3-ethyl-2-(pyrrolidin-1-ylmethyl)quinazolin-4-one
CID 92589760
3-ethyl-2-phenylquinazolin-4-one
CID 12626608
3-methyl-2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]quinazolin-4-one
CID 711398
3-(3-hydroxypropyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one
CID 98221985
3-(3-hydroxypropyl)-2-[(2-oxo-1-propan-2-yl-3H-indol-3-yl)methyl]quinazolin-4-one
CID 20896475
3-ethyl-4-oxoquinazoline-2-carbonitrile
CID 10655605

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[[(3S)-2-oxo-1,3-dihydroindol-3-yl]methyl]quinazolin-4-one?
The IUPAC name of 3-ethyl-2-[[(3S)-2-oxo-1,3-dihydroindol-3-yl]methyl]quinazolin-4-one (CID 7385500) is 3-ethyl-2-[[(3S)-2-oxo-1,3-dihydroindol-3-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-[[(3S)-2-oxo-1,3-dihydroindol-3-yl]methyl]quinazolin-4-one?
The canonical SMILES for 3-ethyl-2-[[(3S)-2-oxo-1,3-dihydroindol-3-yl]methyl]quinazolin-4-one is CCn1c(C[C@@H]2C(=O)Nc3ccccc32)nc2ccccc2c1=O.
What is the InChIKey of 3-ethyl-2-[[(3S)-2-oxo-1,3-dihydroindol-3-yl]methyl]quinazolin-4-one?
The InChIKey is WCBBWJXRDSFYOP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-2-22-17(20-16-10-6-4-8-13(16)19(22)24)11-14-12-7-3-5-9-15(12)21-18(14)23/h3-10,14H,2,11H2,1H3,(H,21,23)/t14-/m0/s1.
What are the key properties of 3-ethyl-2-[[(3S)-2-oxo-1,3-dihydroindol-3-yl]methyl]quinazolin-4-one?
3-ethyl-2-[[(3S)-2-oxo-1,3-dihydroindol-3-yl]methyl]quinazolin-4-one has a molecular weight of 319.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[[(3S)-2-oxo-1,3-dihydroindol-3-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 7385500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).