3-methyl-2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]quinazolin-4-one

C21H21N3O2 — CID 711398

IUPAC3-methyl-2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]quinazolin-4-one
SMILESCCCN1C(=O)[C@H](Cc2nc3ccccc3c(=O)n2C)c2ccccc21
InChIInChI=1S/C21H21N3O2/c1-3-12-24-18-11-7-5-8-14(18)16(21(24)26)13-19-22-17-10-6-4-9-15(17)20(25)23(19)2/h4-11,16H,3,12-13H2,1-2H3/t16-/m1/s1
InChIKeyBOKNDVOJVIBDJQ-MRXNPFEDSA-N
MW347.42 g/mol
LogP3.02
Rot. Bonds4

About 3-methyl-2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]quinazolin-4-one

3-methyl-2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]quinazolin-4-one (PubChem CID 711398) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-methyl-2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]quinazolin-4-one
PubChem CID711398
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name3-methyl-2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]quinazolin-4-one
SMILESCCCN1C(=O)[C@H](Cc2nc3ccccc3c(=O)n2C)c2ccccc21
InChIInChI=1S/C21H21N3O2/c1-3-12-24-18-11-7-5-8-14(18)16(21(24)26)13-19-22-17-10-6-4-9-15(17)20(25)23(19)2/h4-11,16H,3,12-13H2,1-2H3/t16-/m1/s1
InChIKeyBOKNDVOJVIBDJQ-MRXNPFEDSA-N
XLogP3.02
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]quinazolin-4-one with MolForge

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Related Compounds

2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]-3H-quinazolin-4-one
CID 135830517
3-(4-bromophenyl)-2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]quinazolin-4-one
CID 23606635
2-[(1-methyl-2-oxo-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one
CID 2862988
2-[[(3R)-5-bromo-2-oxo-1-propyl-3H-indol-3-yl]methyl]-3-(3-methylphenyl)quinazolin-4-one
CID 40966610
2-[[(3S)-5-bromo-2-oxo-1-propyl-3H-indol-3-yl]methyl]-3-(3-methylphenyl)quinazolin-4-one
CID 98215350
ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
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-(bromomethyl)-3-methylquinazolin-4-one
CID 15707759
2-[[(3R)-1-methyl-2-oxo-3H-indol-3-yl]methyl]-3-(3-methylphenyl)quinazolin-4-one
CID 51563740
2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride
CID 75537334
ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one
CID 91302678

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]quinazolin-4-one?
The IUPAC name of 3-methyl-2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]quinazolin-4-one (CID 711398) is 3-methyl-2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 3-methyl-2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]quinazolin-4-one?
The canonical SMILES for 3-methyl-2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]quinazolin-4-one is CCCN1C(=O)[C@H](Cc2nc3ccccc3c(=O)n2C)c2ccccc21.
What is the InChIKey of 3-methyl-2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]quinazolin-4-one?
The InChIKey is BOKNDVOJVIBDJQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-3-12-24-18-11-7-5-8-14(18)16(21(24)26)13-19-22-17-10-6-4-9-15(17)20(25)23(19)2/h4-11,16H,3,12-13H2,1-2H3/t16-/m1/s1.
What are the key properties of 3-methyl-2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]quinazolin-4-one?
3-methyl-2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]quinazolin-4-one has a molecular weight of 347.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 711398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).