3-[2-[(5-methoxy-1H-indol-2-yl)methylamino]propyl]quinazolin-4-one

C21H22N4O2 — CID 56717154

IUPAC3-[2-[(5-methoxy-1H-indol-2-yl)methylamino]propyl]quinazolin-4-one
SMILESCOc1ccc2[nH]c(CNC(C)Cn3cnc4ccccc4c3=O)cc2c1
InChIInChI=1S/C21H22N4O2/c1-14(12-25-13-23-20-6-4-3-5-18(20)21(25)26)22-11-16-9-15-10-17(27-2)7-8-19(15)24-16/h3-10,13-14,22,24H,11-12H2,1-2H3
InChIKeyKRPDJINPBIPCLA-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.06
Rot. Bonds6

About 3-[2-[(5-methoxy-1H-indol-2-yl)methylamino]propyl]quinazolin-4-one

3-[2-[(5-methoxy-1H-indol-2-yl)methylamino]propyl]quinazolin-4-one (PubChem CID 56717154) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-[2-[(5-methoxy-1H-indol-2-yl)methylamino]propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-[(5-methoxy-1H-indol-2-yl)methylamino]propyl]quinazolin-4-one
PubChem CID56717154
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name3-[2-[(5-methoxy-1H-indol-2-yl)methylamino]propyl]quinazolin-4-one
SMILESCOc1ccc2[nH]c(CNC(C)Cn3cnc4ccccc4c3=O)cc2c1
InChIInChI=1S/C21H22N4O2/c1-14(12-25-13-23-20-6-4-3-5-18(20)21(25)26)22-11-16-9-15-10-17(27-2)7-8-19(15)24-16/h3-10,13-14,22,24H,11-12H2,1-2H3
InChIKeyKRPDJINPBIPCLA-UHFFFAOYSA-N
XLogP3.06
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2R)-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methylamino]propyl]quinazolin-4-one
CID 137148228
3-(benzimidazol-1-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]propanamide
CID 91795395
3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propyl]quinazolin-4-one
CID 131920058
3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]quinazolin-4-one
CID 110885190
3-[(5-methoxy-1H-indol-2-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 154819670
3-[(2S)-2-hydroxy-2-phenylethyl]-6-methoxyquinazolin-4-one
CID 166385913
2-[2-[[(2S)-1-(4-oxoquinazolin-3-yl)propan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione
CID 95230535
3-[2-(ethylamino)-3-methoxypropyl]quinazolin-4-one
CID 107506094
3-[(2S)-2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylamino]propyl]quinazolin-4-one
CID 95213262
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 51212553
N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 52509917
6-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]quinazolin-4-one
CID 39760818

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-methoxy-1H-indol-2-yl)methylamino]propyl]quinazolin-4-one?
The IUPAC name of 3-[2-[(5-methoxy-1H-indol-2-yl)methylamino]propyl]quinazolin-4-one (CID 56717154) is 3-[2-[(5-methoxy-1H-indol-2-yl)methylamino]propyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-[(5-methoxy-1H-indol-2-yl)methylamino]propyl]quinazolin-4-one?
The canonical SMILES for 3-[2-[(5-methoxy-1H-indol-2-yl)methylamino]propyl]quinazolin-4-one is COc1ccc2[nH]c(CNC(C)Cn3cnc4ccccc4c3=O)cc2c1.
What is the InChIKey of 3-[2-[(5-methoxy-1H-indol-2-yl)methylamino]propyl]quinazolin-4-one?
The InChIKey is KRPDJINPBIPCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14(12-25-13-23-20-6-4-3-5-18(20)21(25)26)22-11-16-9-15-10-17(27-2)7-8-19(15)24-16/h3-10,13-14,22,24H,11-12H2,1-2H3.
What are the key properties of 3-[2-[(5-methoxy-1H-indol-2-yl)methylamino]propyl]quinazolin-4-one?
3-[2-[(5-methoxy-1H-indol-2-yl)methylamino]propyl]quinazolin-4-one has a molecular weight of 362.43 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-methoxy-1H-indol-2-yl)methylamino]propyl]quinazolin-4-one is sourced from PubChem (CID 56717154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).