3-(3-hydroxypropyl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]quinazolin-4-one

C24H25N3O3 — CID 2966521

IUPAC3-(3-hydroxypropyl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]quinazolin-4-one
SMILESCOc1ccc2c(c1)c(C=Cc1nc3ccccc3c(=O)n1CCCO)c(C)n2C
InChIInChI=1S/C24H25N3O3/c1-16-18(20-15-17(30-3)9-11-22(20)26(16)2)10-12-23-25-21-8-5-4-7-19(21)24(29)27(23)13-6-14-28/h4-5,7-12,15,28H,6,13-14H2,1-3H3
InChIKeyFJJOGJZEPMRFJP-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.76
Rot. Bonds6

About 3-(3-hydroxypropyl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]quinazolin-4-one

3-(3-hydroxypropyl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]quinazolin-4-one (PubChem CID 2966521) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]quinazolin-4-one
PubChem CID2966521
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name3-(3-hydroxypropyl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]quinazolin-4-one
SMILESCOc1ccc2c(c1)c(C=Cc1nc3ccccc3c(=O)n1CCCO)c(C)n2C
InChIInChI=1S/C24H25N3O3/c1-16-18(20-15-17(30-3)9-11-22(20)26(16)2)10-12-23-25-21-8-5-4-7-19(21)24(29)27(23)13-6-14-28/h4-5,7-12,15,28H,6,13-14H2,1-3H3
InChIKeyFJJOGJZEPMRFJP-UHFFFAOYSA-N
XLogP3.76
TPSA69.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]-3-methylquinazolin-4-one
CID 2880240
2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]-3-(4-nitrophenyl)quinazolin-4-one
CID 2880243
2-[(E)-2-(1-benzyl-2-methylindol-3-yl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one
CID 23606618
2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one
CID 92912504
3-benzyl-2-[2-(1,2-dimethylindol-3-yl)ethenyl]quinazolin-4-one
CID 3849018
2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one
CID 2893509
3-(2-hydroxyethyl)-2-(2-phenylethenyl)quinazolin-4-one
CID 71374590
2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
CID 92912509
2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one
CID 2575420
3-(2-hydroxyethyl)-6-methoxy-1-methylquinazoline-2,4-dione
CID 117262435
5-(3-methoxycarbazol-9-yl)pentan-1-ol
CID 153297193
5-methoxy-1,2-dimethyl-3-(2-nitroethenyl)indole
CID 77469691

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-(3-hydroxypropyl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]quinazolin-4-one (CID 2966521) is 3-(3-hydroxypropyl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(3-hydroxypropyl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-(3-hydroxypropyl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]quinazolin-4-one is COc1ccc2c(c1)c(C=Cc1nc3ccccc3c(=O)n1CCCO)c(C)n2C.
What is the InChIKey of 3-(3-hydroxypropyl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]quinazolin-4-one?
The InChIKey is FJJOGJZEPMRFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-16-18(20-15-17(30-3)9-11-22(20)26(16)2)10-12-23-25-21-8-5-4-7-19(21)24(29)27(23)13-6-14-28/h4-5,7-12,15,28H,6,13-14H2,1-3H3.
What are the key properties of 3-(3-hydroxypropyl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]quinazolin-4-one?
3-(3-hydroxypropyl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]quinazolin-4-one has a molecular weight of 403.48 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 2966521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).