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

C20H19N3O2 — CID 135830517

IUPAC2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]-3H-quinazolin-4-one
SMILESCCCN1C(=O)[C@H](Cc2nc3ccccc3c(=O)[nH]2)c2ccccc21
InChIInChI=1S/C20H19N3O2/c1-2-11-23-17-10-6-4-7-13(17)15(20(23)25)12-18-21-16-9-5-3-8-14(16)19(24)22-18/h3-10,15H,2,11-12H2,1H3,(H,21,22,24)/t15-/m1/s1
InChIKeyABLJMTROEVOXIF-OAHLLOKOSA-N
MW333.39 g/mol
LogP3.01
Rot. Bonds4

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

2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]-3H-quinazolin-4-one (PubChem CID 135830517) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]-3H-quinazolin-4-one
PubChem CID135830517
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]-3H-quinazolin-4-one
SMILESCCCN1C(=O)[C@H](Cc2nc3ccccc3c(=O)[nH]2)c2ccccc21
InChIInChI=1S/C20H19N3O2/c1-2-11-23-17-10-6-4-7-13(17)15(20(23)25)12-18-21-16-9-5-3-8-14(16)19(24)22-18/h3-10,15H,2,11-12H2,1H3,(H,21,22,24)/t15-/m1/s1
InChIKeyABLJMTROEVOXIF-OAHLLOKOSA-N
XLogP3.01
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

3-methyl-2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]quinazolin-4-one
CID 711398
2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
CID 135802761
2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-3H-quinazolin-4-one
CID 135570401
2-[[2,2-dimethyl-3-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclobutyl]methyl]-3H-quinazolin-4-one
CID 137187410
3-hydroxy-1-propyl-3H-indol-2-one
CID 90417958
2-(2-methylpentyl)-3H-quinazolin-4-one
CID 136798516
2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135612889
2-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136968778
2-(aminomethyl)-3H-quinazolin-4-one;dihydrochloride
CID 137032189
2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136733737
N-benzyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135738202
2-(piperidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135420435

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]-3H-quinazolin-4-one (CID 135830517) is 2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]-3H-quinazolin-4-one is CCCN1C(=O)[C@H](Cc2nc3ccccc3c(=O)[nH]2)c2ccccc21.
What is the InChIKey of 2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]-3H-quinazolin-4-one?
The InChIKey is ABLJMTROEVOXIF-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-2-11-23-17-10-6-4-7-13(17)15(20(23)25)12-18-21-16-9-5-3-8-14(16)19(24)22-18/h3-10,15H,2,11-12H2,1H3,(H,21,22,24)/t15-/m1/s1.
What are the key properties of 2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]-3H-quinazolin-4-one?
2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]-3H-quinazolin-4-one has a molecular weight of 333.39 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135830517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).