2-ethyl-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]quinazolin-4-one

C24H29N3O2 — CID 11696812

IUPAC2-ethyl-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]quinazolin-4-one
SMILESCCc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2C)cc1
InChIInChI=1S/C24H29N3O2/c1-3-23-25-22-10-5-4-9-21(22)24(28)27(23)19-11-13-20(14-12-19)29-17-7-16-26-15-6-8-18(26)2/h4-5,9-14,18H,3,6-8,15-17H2,1-2H3
InChIKeyATHIPZDIGZGIEP-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.20
Rot. Bonds7

About 2-ethyl-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]quinazolin-4-one

2-ethyl-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]quinazolin-4-one (PubChem CID 11696812) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-ethyl-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]quinazolin-4-one.

Molecular Properties

Compound Name2-ethyl-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]quinazolin-4-one
PubChem CID11696812
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2-ethyl-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]quinazolin-4-one
SMILESCCc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2C)cc1
InChIInChI=1S/C24H29N3O2/c1-3-23-25-22-10-5-4-9-21(22)24(28)27(23)19-11-13-20(14-12-19)29-17-7-16-26-15-6-8-18(26)2/h4-5,9-14,18H,3,6-8,15-17H2,1-2H3
InChIKeyATHIPZDIGZGIEP-UHFFFAOYSA-N
XLogP4.20
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one
CID 11581919
2-ethyl-3-phenylquinazolin-4-one
CID 719985
2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-phenylpyridazin-3-one
CID 67010937
ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one
CID 90844218
1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperidin-2-one
CID 124565502
3-methyl-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-[1]benzothiolo[2,3-d]pyrazole
CID 24782527
4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
4-benzyl-2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 59651910
2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 58601623
(5S)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-(pyrrolidin-1-ylmethyl)pyrrolidin-2-one
CID 16662600
3-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
CID 24995991

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]quinazolin-4-one?
The IUPAC name of 2-ethyl-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]quinazolin-4-one (CID 11696812) is 2-ethyl-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]quinazolin-4-one.
What is the SMILES notation for 2-ethyl-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]quinazolin-4-one?
The canonical SMILES for 2-ethyl-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]quinazolin-4-one is CCc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2C)cc1.
What is the InChIKey of 2-ethyl-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]quinazolin-4-one?
The InChIKey is ATHIPZDIGZGIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-3-23-25-22-10-5-4-9-21(22)24(28)27(23)19-11-13-20(14-12-19)29-17-7-16-26-15-6-8-18(26)2/h4-5,9-14,18H,3,6-8,15-17H2,1-2H3.
What are the key properties of 2-ethyl-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]quinazolin-4-one?
2-ethyl-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]quinazolin-4-one has a molecular weight of 391.52 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]quinazolin-4-one is sourced from PubChem (CID 11696812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).