3-(3,5-dimethylpyrazol-1-yl)-N-(6-methylindolo[1,2-c]quinazolin-12-yl)propanamide

C24H23N5O — CID 55532800

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-(6-methylindolo[1,2-c]quinazolin-12-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)Nc2c3ccccc3n3c(C)nc4ccccc4c23)n1
InChIInChI=1S/C24H23N5O/c1-15-14-16(2)28(27-15)13-12-22(30)26-23-19-9-5-7-11-21(19)29-17(3)25-20-10-6-4-8-18(20)24(23)29/h4-11,14H,12-13H2,1-3H3,(H,26,30)
InChIKeyDBKDKSRAQMZVMR-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.79
Rot. Bonds4

About 3-(3,5-dimethylpyrazol-1-yl)-N-(6-methylindolo[1,2-c]quinazolin-12-yl)propanamide

3-(3,5-dimethylpyrazol-1-yl)-N-(6-methylindolo[1,2-c]quinazolin-12-yl)propanamide (PubChem CID 55532800) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-(6-methylindolo[1,2-c]quinazolin-12-yl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-(6-methylindolo[1,2-c]quinazolin-12-yl)propanamide
PubChem CID55532800
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-(6-methylindolo[1,2-c]quinazolin-12-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)Nc2c3ccccc3n3c(C)nc4ccccc4c23)n1
InChIInChI=1S/C24H23N5O/c1-15-14-16(2)28(27-15)13-12-22(30)26-23-19-9-5-7-11-21(19)29-17(3)25-20-10-6-4-8-18(20)24(23)29/h4-11,14H,12-13H2,1-3H3,(H,26,30)
InChIKeyDBKDKSRAQMZVMR-UHFFFAOYSA-N
XLogP4.79
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(6-methylindolo[1,2-c]quinazolin-12-yl)propanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(6-methylindolo[1,2-c]quinazolin-12-yl)propanamide (CID 55532800) is 3-(3,5-dimethylpyrazol-1-yl)-N-(6-methylindolo[1,2-c]quinazolin-12-yl)propanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-(6-methylindolo[1,2-c]quinazolin-12-yl)propanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-(6-methylindolo[1,2-c]quinazolin-12-yl)propanamide is Cc1cc(C)n(CCC(=O)Nc2c3ccccc3n3c(C)nc4ccccc4c23)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-(6-methylindolo[1,2-c]quinazolin-12-yl)propanamide?
The InChIKey is DBKDKSRAQMZVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-15-14-16(2)28(27-15)13-12-22(30)26-23-19-9-5-7-11-21(19)29-17(3)25-20-10-6-4-8-18(20)24(23)29/h4-11,14H,12-13H2,1-3H3,(H,26,30).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-(6-methylindolo[1,2-c]quinazolin-12-yl)propanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-(6-methylindolo[1,2-c]quinazolin-12-yl)propanamide has a molecular weight of 397.48 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-(6-methylindolo[1,2-c]quinazolin-12-yl)propanamide is sourced from PubChem (CID 55532800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).