N-(4-chlorophenyl)-N-[2-methyl-1-(1-propan-2-ylindazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide

C29H29ClN4O2 — CID 68924248

IUPACN-(4-chlorophenyl)-N-[2-methyl-1-(1-propan-2-ylindazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide
SMILESCC(=O)N(c1ccc(Cl)cc1)C1CC(C)N(C(=O)c2ccc3c(cnn3C(C)C)c2)c2ccccc21
InChIInChI=1S/C29H29ClN4O2/c1-18(2)34-26-14-9-21(16-22(26)17-31-34)29(36)32-19(3)15-28(25-7-5-6-8-27(25)32)33(20(4)35)24-12-10-23(30)11-13-24/h5-14,16-19,28H,15H2,1-4H3
InChIKeyOBFHBOMTGQMMMP-UHFFFAOYSA-N
MW501.03 g/mol
LogP6.80
Rot. Bonds4

About N-(4-chlorophenyl)-N-[2-methyl-1-(1-propan-2-ylindazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide

N-(4-chlorophenyl)-N-[2-methyl-1-(1-propan-2-ylindazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide (PubChem CID 68924248) has the molecular formula C29H29ClN4O2 and a molecular weight of 501.03 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[2-methyl-1-(1-propan-2-ylindazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[2-methyl-1-(1-propan-2-ylindazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide
PubChem CID68924248
Molecular FormulaC29H29ClN4O2
Molecular Weight501.03 g/mol
Exact Mass500.20
IUPAC NameN-(4-chlorophenyl)-N-[2-methyl-1-(1-propan-2-ylindazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide
SMILESCC(=O)N(c1ccc(Cl)cc1)C1CC(C)N(C(=O)c2ccc3c(cnn3C(C)C)c2)c2ccccc21
InChIInChI=1S/C29H29ClN4O2/c1-18(2)34-26-14-9-21(16-22(26)17-31-34)29(36)32-19(3)15-28(25-7-5-6-8-27(25)32)33(20(4)35)24-12-10-23(30)11-13-24/h5-14,16-19,28H,15H2,1-4H3
InChIKeyOBFHBOMTGQMMMP-UHFFFAOYSA-N
XLogP6.80
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.03
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[2-methyl-1-(1-propan-2-ylindazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-N-[2-methyl-1-(1-propan-2-ylindazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide (CID 68924248) is N-(4-chlorophenyl)-N-[2-methyl-1-(1-propan-2-ylindazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[2-methyl-1-(1-propan-2-ylindazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[2-methyl-1-(1-propan-2-ylindazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide is CC(=O)N(c1ccc(Cl)cc1)C1CC(C)N(C(=O)c2ccc3c(cnn3C(C)C)c2)c2ccccc21.
What is the InChIKey of N-(4-chlorophenyl)-N-[2-methyl-1-(1-propan-2-ylindazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The InChIKey is OBFHBOMTGQMMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClN4O2/c1-18(2)34-26-14-9-21(16-22(26)17-31-34)29(36)32-19(3)15-28(25-7-5-6-8-27(25)32)33(20(4)35)24-12-10-23(30)11-13-24/h5-14,16-19,28H,15H2,1-4H3.
What are the key properties of N-(4-chlorophenyl)-N-[2-methyl-1-(1-propan-2-ylindazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide?
N-(4-chlorophenyl)-N-[2-methyl-1-(1-propan-2-ylindazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide has a molecular weight of 501.03 g/mol, XLogP of 6.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[2-methyl-1-(1-propan-2-ylindazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide is sourced from PubChem (CID 68924248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).