8-methoxy-3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one

C23H27N3O3 — CID 11545644

IUPAC8-methoxy-3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
SMILESCOc1cccc2c(=O)n(C)c(-c3ccc(OCCCN4CCCC4)cc3)nc12
InChIInChI=1S/C23H27N3O3/c1-25-22(24-21-19(23(25)27)7-5-8-20(21)28-2)17-9-11-18(12-10-17)29-16-6-15-26-13-3-4-14-26/h5,7-12H,3-4,6,13-16H2,1-2H3
InChIKeyRTGOCBWTELMPLS-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.47
Rot. Bonds7

About 8-methoxy-3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one

8-methoxy-3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one (PubChem CID 11545644) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 8-methoxy-3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name8-methoxy-3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
PubChem CID11545644
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name8-methoxy-3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
SMILESCOc1cccc2c(=O)n(C)c(-c3ccc(OCCCN4CCCC4)cc3)nc12
InChIInChI=1S/C23H27N3O3/c1-25-22(24-21-19(23(25)27)7-5-8-20(21)28-2)17-9-11-18(12-10-17)29-16-6-15-26-13-3-4-14-26/h5,7-12H,3-4,6,13-16H2,1-2H3
InChIKeyRTGOCBWTELMPLS-UHFFFAOYSA-N
XLogP3.47
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-chloropropoxy)phenyl]-8-methoxy-3-methylquinazolin-4-one
CID 20504705
3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrido[2,3-d]pyrimidin-4-one
CID 11617527
2-[4-[3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propoxy]phenyl]-8-methoxy-3-methylquinazolin-4-one
CID 3068717
2-[4-(2-chloroethoxy)phenyl]-8-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 15870882
3,8-dimethyl-2-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 11509710
3-methyl-2-[2-methyl-4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11625039
5-methoxy-2-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-4-one
CID 147416054
2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-8-(trifluoromethyl)quinazolin-4-one
CID 24951350
3-methyl-2-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyrido[3,2-d]pyrimidin-4-one
CID 11494881
5-methoxy-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propylquinazolin-4-one
CID 23151299
3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one
CID 11581919
2-[2-methoxy-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-3-methylquinazolin-4-one
CID 11524620

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The IUPAC name of 8-methoxy-3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one (CID 11545644) is 8-methoxy-3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one.
What is the SMILES notation for 8-methoxy-3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The canonical SMILES for 8-methoxy-3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one is COc1cccc2c(=O)n(C)c(-c3ccc(OCCCN4CCCC4)cc3)nc12.
What is the InChIKey of 8-methoxy-3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
The InChIKey is RTGOCBWTELMPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-25-22(24-21-19(23(25)27)7-5-8-20(21)28-2)17-9-11-18(12-10-17)29-16-6-15-26-13-3-4-14-26/h5,7-12H,3-4,6,13-16H2,1-2H3.
What are the key properties of 8-methoxy-3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one?
8-methoxy-3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one has a molecular weight of 393.49 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one is sourced from PubChem (CID 11545644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).