N-(1,3-benzodioxol-5-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2-morpholin-4-yl-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methyl]propanamide

C33H37N5O4 — CID 45235747

About N-(1,3-benzodioxol-5-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2-morpholin-4-yl-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methyl]propanamide

N-(1,3-benzodioxol-5-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2-morpholin-4-yl-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methyl]propanamide (PubChem CID 45235747) has the molecular formula C33H37N5O4 and a molecular weight of 567.69 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2-morpholin-4-yl-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methyl]propanamide.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2-morpholin-4-yl-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methyl]propanamide
• PubChem CID: 45235747
• Molecular Formula: C33H37N5O4
• Molecular Weight: 567.69 g/mol
• Exact Mass: 567.28
• IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2-morpholin-4-yl-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methyl]propanamide
• SMILES: Cc1cc(C)n(CCC(=O)N(Cc2ccc3c(c2)OCO3)Cc2cc3cc4c(cc3nc2N2CCOCC2)CCC4)n1
• InChI: InChI=1S/C33H37N5O4/c1-22-14-23(2)38(35-22)9-8-32(39)37(19-24-6-7-30-31(15-24)42-21-41-30)20-28-17-27-16-25-4-3-5-26(25)18-29(27)34-33(28)36-10-12-40-13-11-36/h6-7,14-18H,3-5,8-13,19-21H2,1-2H3
• InChIKey: MSMOIQRVOAEBJU-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 81.95 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.69
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2-morpholin-4-yl-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methyl]propanamide?

The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2-morpholin-4-yl-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methyl]propanamide (CID 45235747) is N-(1,3-benzodioxol-5-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2-morpholin-4-yl-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methyl]propanamide.

What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2-morpholin-4-yl-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methyl]propanamide?

The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2-morpholin-4-yl-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methyl]propanamide is Cc1cc(C)n(CCC(=O)N(Cc2ccc3c(c2)OCO3)Cc2cc3cc4c(cc3nc2N2CCOCC2)CCC4)n1.

What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2-morpholin-4-yl-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methyl]propanamide?

The InChIKey is MSMOIQRVOAEBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N5O4/c1-22-14-23(2)38(35-22)9-8-32(39)37(19-24-6-7-30-31(15-24)42-21-41-30)20-28-17-27-16-25-4-3-5-26(25)18-29(27)34-33(28)36-10-12-40-13-11-36/h6-7,14-18H,3-5,8-13,19-21H2,1-2H3.

What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2-morpholin-4-yl-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methyl]propanamide?

N-(1,3-benzodioxol-5-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2-morpholin-4-yl-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methyl]propanamide has a molecular weight of 567.69 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2-morpholin-4-yl-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl)methyl]propanamide is sourced from PubChem (CID 45235747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).