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

C23H25N3O3 — CID 20896475

IUPAC3-(3-hydroxypropyl)-2-[(2-oxo-1-propan-2-yl-3H-indol-3-yl)methyl]quinazolin-4-one
SMILESCC(C)N1C(=O)C(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
InChIKeyCTQRDKMRHNSPSK-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.86
Rot. Bonds6

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

3-(3-hydroxypropyl)-2-[(2-oxo-1-propan-2-yl-3H-indol-3-yl)methyl]quinazolin-4-one (PubChem CID 20896475) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-2-[(2-oxo-1-propan-2-yl-3H-indol-3-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-2-[(2-oxo-1-propan-2-yl-3H-indol-3-yl)methyl]quinazolin-4-one
PubChem CID20896475
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name3-(3-hydroxypropyl)-2-[(2-oxo-1-propan-2-yl-3H-indol-3-yl)methyl]quinazolin-4-one
SMILESCC(C)N1C(=O)C(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
InChIKeyCTQRDKMRHNSPSK-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-2-[(2-oxo-1-propan-2-yl-3H-indol-3-yl)methyl]quinazolin-4-one?
The IUPAC name of 3-(3-hydroxypropyl)-2-[(2-oxo-1-propan-2-yl-3H-indol-3-yl)methyl]quinazolin-4-one (CID 20896475) is 3-(3-hydroxypropyl)-2-[(2-oxo-1-propan-2-yl-3H-indol-3-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 3-(3-hydroxypropyl)-2-[(2-oxo-1-propan-2-yl-3H-indol-3-yl)methyl]quinazolin-4-one?
The canonical SMILES for 3-(3-hydroxypropyl)-2-[(2-oxo-1-propan-2-yl-3H-indol-3-yl)methyl]quinazolin-4-one is CC(C)N1C(=O)C(Cc2nc3ccccc3c(=O)n2CCCO)c2ccccc21.
What is the InChIKey of 3-(3-hydroxypropyl)-2-[(2-oxo-1-propan-2-yl-3H-indol-3-yl)methyl]quinazolin-4-one?
The InChIKey is CTQRDKMRHNSPSK-UHFFFAOYSA-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.
What are the key properties of 3-(3-hydroxypropyl)-2-[(2-oxo-1-propan-2-yl-3H-indol-3-yl)methyl]quinazolin-4-one?
3-(3-hydroxypropyl)-2-[(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-[(2-oxo-1-propan-2-yl-3H-indol-3-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 20896475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).