propan-2-yl N-[1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate

C25H34N4O3S — CID 75964774

IUPACpropan-2-yl N-[1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate
SMILESCC(=O)N1c2ccc(-c3ncc(CN4CCCCC4)s3)cc2C(NC(=O)OC(C)C)CC1C
InChIInChI=1S/C25H34N4O3S/c1-16(2)32-25(31)27-22-12-17(3)29(18(4)30)23-9-8-19(13-21(22)23)24-26-14-20(33-24)15-28-10-6-5-7-11-28/h8-9,13-14,16-17,22H,5-7,10-12,15H2,1-4H3,(H,27,31)
InChIKeyVHQLTQNNSSBEQA-UHFFFAOYSA-N
MW470.64 g/mol
LogP5.12
Rot. Bonds5

About propan-2-yl N-[1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate

propan-2-yl N-[1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate (PubChem CID 75964774) has the molecular formula C25H34N4O3S and a molecular weight of 470.64 g/mol. Its IUPAC name is propan-2-yl N-[1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate
PubChem CID75964774
Molecular FormulaC25H34N4O3S
Molecular Weight470.64 g/mol
Exact Mass470.24
IUPAC Namepropan-2-yl N-[1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate
SMILESCC(=O)N1c2ccc(-c3ncc(CN4CCCCC4)s3)cc2C(NC(=O)OC(C)C)CC1C
InChIInChI=1S/C25H34N4O3S/c1-16(2)32-25(31)27-22-12-17(3)29(18(4)30)23-9-8-19(13-21(22)23)24-26-14-20(33-24)15-28-10-6-5-7-11-28/h8-9,13-14,16-17,22H,5-7,10-12,15H2,1-4H3,(H,27,31)
InChIKeyVHQLTQNNSSBEQA-UHFFFAOYSA-N
XLogP5.12
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.64
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze propan-2-yl N-[1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The IUPAC name of propan-2-yl N-[1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate (CID 75964774) is propan-2-yl N-[1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The canonical SMILES for propan-2-yl N-[1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate is CC(=O)N1c2ccc(-c3ncc(CN4CCCCC4)s3)cc2C(NC(=O)OC(C)C)CC1C.
What is the InChIKey of propan-2-yl N-[1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The InChIKey is VHQLTQNNSSBEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3S/c1-16(2)32-25(31)27-22-12-17(3)29(18(4)30)23-9-8-19(13-21(22)23)24-26-14-20(33-24)15-28-10-6-5-7-11-28/h8-9,13-14,16-17,22H,5-7,10-12,15H2,1-4H3,(H,27,31).
What are the key properties of propan-2-yl N-[1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate?
propan-2-yl N-[1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate has a molecular weight of 470.64 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate is sourced from PubChem (CID 75964774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).