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

C23H25N3O3 — CID 98221985

IUPAC3-(3-hydroxypropyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one
SMILESCC(C)N1C(=O)[C@H](Cc2nc3ccccc3c(=O)n2CCCO)c2ccccc21
InChIInChI=1S/C23H25N3O3/c1-15(2)26-20-11-6-4-8-16(20)18(23(26)29)14-21-24-19-10-5-3-9-17(19)22(28)25(21)12-7-13-27/h3-6,8-11,15,18,27H,7,12-14H2,1-2H3/t18-/m1/s1
InChIKeyCTQRDKMRHNSPSK-GOSISDBHSA-N
MW391.47 g/mol
LogP2.86
Rot. Bonds6

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

3-(3-hydroxypropyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one (PubChem CID 98221985) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one
PubChem CID98221985
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name3-(3-hydroxypropyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one
SMILESCC(C)N1C(=O)[C@H](Cc2nc3ccccc3c(=O)n2CCCO)c2ccccc21
InChIInChI=1S/C23H25N3O3/c1-15(2)26-20-11-6-4-8-16(20)18(23(26)29)14-21-24-19-10-5-3-9-17(19)22(28)25(21)12-7-13-27/h3-6,8-11,15,18,27H,7,12-14H2,1-2H3/t18-/m1/s1
InChIKeyCTQRDKMRHNSPSK-GOSISDBHSA-N
XLogP2.86
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

3-(3-hydroxypropyl)-2-[(2-oxo-1-propan-2-yl-3H-indol-3-yl)methyl]quinazolin-4-one
CID 20896475
2-[[(3R)-5-bromo-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]-3-ethylquinazolin-4-one
CID 98221961
2-[(5-bromo-1-ethyl-2-oxo-3H-indol-3-yl)methyl]-3-(3-hydroxypropyl)quinazolin-4-one
CID 20895001
3-(3-methoxyphenyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one
CID 98243178
2-[[(3S)-5-methyl-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]-3-(2-methylphenyl)quinazolin-4-one
CID 95060054
3-(4-hydroxybutyl)-2-propylquinazolin-4-one
CID 59723833
2-[(1-methyl-2-oxo-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one
CID 2862988
3-methyl-2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]quinazolin-4-one
CID 711398
3-(2-hydroxyethyl)-2-[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]ethyl]quinazolin-4-one
CID 139233007
2-benzylsulfanyl-3-(3-hydroxypropyl)quinazolin-4-one
CID 4825111
3-ethyl-2-[[(3S)-2-oxo-1,3-dihydroindol-3-yl]methyl]quinazolin-4-one
CID 7385500
2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N,3-trimethylbutanamide
CID 48730377

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one?
The IUPAC name of 3-(3-hydroxypropyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one (CID 98221985) is 3-(3-hydroxypropyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 3-(3-hydroxypropyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one?
The canonical SMILES for 3-(3-hydroxypropyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one is CC(C)N1C(=O)[C@H](Cc2nc3ccccc3c(=O)n2CCCO)c2ccccc21.
What is the InChIKey of 3-(3-hydroxypropyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one?
The InChIKey is CTQRDKMRHNSPSK-GOSISDBHSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15(2)26-20-11-6-4-8-16(20)18(23(26)29)14-21-24-19-10-5-3-9-17(19)22(28)25(21)12-7-13-27/h3-6,8-11,15,18,27H,7,12-14H2,1-2H3/t18-/m1/s1.
What are the key properties of 3-(3-hydroxypropyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one?
3-(3-hydroxypropyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one has a molecular weight of 391.47 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 98221985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).