2-propan-2-yl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one

C24H29N3O2 — CID 24948945

IUPAC2-propan-2-yl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
SMILESCC(C)c1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C24H29N3O2/c1-18(2)23-25-22-9-4-3-8-21(22)24(28)27(23)19-10-12-20(13-11-19)29-17-7-16-26-14-5-6-15-26/h3-4,8-13,18H,5-7,14-17H2,1-2H3
InChIKeyICABZMOPXMZCLZ-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.37
Rot. Bonds7

About 2-propan-2-yl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one

2-propan-2-yl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one (PubChem CID 24948945) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-propan-2-yl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name2-propan-2-yl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
PubChem CID24948945
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2-propan-2-yl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
SMILESCC(C)c1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C24H29N3O2/c1-18(2)23-25-22-9-4-3-8-21(22)24(28)27(23)19-10-12-20(13-11-19)29-17-7-16-26-14-5-6-15-26/h3-4,8-13,18H,5-7,14-17H2,1-2H3
InChIKeyICABZMOPXMZCLZ-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
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

CID 11697697
CID 11697697
CID 11973780
CID 11973780
CID 637050
CID 637050
CID 11559627
CID 11559627
CID 49821931
CID 49821931
CID 217632
CID 217632
CID 1366773
CID 1366773
CID 23631116
CID 23631116
CID 135567247
CID 135567247
CID 11809733
CID 11809733
CID 11502343
CID 11502343
CID 11502638
CID 11502638

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The IUPAC name of 2-propan-2-yl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one (CID 24948945) is 2-propan-2-yl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one.
What is the SMILES notation for 2-propan-2-yl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The canonical SMILES for 2-propan-2-yl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one is CC(C)c1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1.
What is the InChIKey of 2-propan-2-yl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The InChIKey is ICABZMOPXMZCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-18(2)23-25-22-9-4-3-8-21(22)24(28)27(23)19-10-12-20(13-11-19)29-17-7-16-26-14-5-6-15-26/h3-4,8-13,18H,5-7,14-17H2,1-2H3.
What are the key properties of 2-propan-2-yl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
2-propan-2-yl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one has a molecular weight of 391.52 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one is sourced from PubChem (CID 24948945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).