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

C25H35ClN4O3S — CID 52933147

IUPACpropan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride
SMILESCC(=O)N1c2ccc(-c3ncc(CN4CCCCC4)s3)cc2[C@@H](NC(=O)OC(C)C)C[C@H]1C.Cl
InChIInChI=1S/C25H34N4O3S.ClH/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);1H/t17-,22+;/m1./s1
InChIKeyJKCPNZMIYIPWCM-YITVUBHWSA-N
MW507.10 g/mol
LogP5.54
Rot. Bonds5

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

propan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride (PubChem CID 52933147) has the molecular formula C25H35ClN4O3S and a molecular weight of 507.10 g/mol. Its IUPAC name is propan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride
PubChem CID52933147
Molecular FormulaC25H35ClN4O3S
Molecular Weight507.10 g/mol
Exact Mass506.21
IUPAC Namepropan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride
SMILESCC(=O)N1c2ccc(-c3ncc(CN4CCCCC4)s3)cc2[C@@H](NC(=O)OC(C)C)C[C@H]1C.Cl
InChIInChI=1S/C25H34N4O3S.ClH/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);1H/t17-,22+;/m1./s1
InChIKeyJKCPNZMIYIPWCM-YITVUBHWSA-N
XLogP5.54
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.10
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Related Compounds

1-Methyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one
CID 118736852
4-[(4-Methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one
CID 118736860
propan-2-yl N-[4-[5-[4-[acetyl(methyl)amino]-2-fluorophenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 169263376
propan-2-yl N-[4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]-3-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamate
CID 169263388
piperidin-4-ylmethyl N-[2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamate
CID 10471907
propan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 52932905
propan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 52933148
1-methylethyl {(2S,4R)-1-acetyl-2-methyl-6-[5-(1-piperazinyl methyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydro-4-quinolinyl}carbamate
CID 52935024
propan-2-yl N-[(2R,4S)-1-acetyl-6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 52936108
piperidin-4-yl N-[2-(1,3-thiazol-2-yl)phenyl]carbamate
CID 66810730
Tert-butyl 4-[[2-(1,3-thiazol-2-yl)phenyl]carbamoyloxy]piperidine-1-carboxylate
CID 66811092
[(2S,4R)-1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamic acid;hydrochloride
CID 68162125

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride?
The IUPAC name of propan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride (CID 52933147) is propan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride.
What is the SMILES notation for propan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride?
The canonical SMILES for propan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride is CC(=O)N1c2ccc(-c3ncc(CN4CCCCC4)s3)cc2[C@@H](NC(=O)OC(C)C)C[C@H]1C.Cl.
What is the InChIKey of propan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride?
The InChIKey is JKCPNZMIYIPWCM-YITVUBHWSA-N. The full InChI is InChI=1S/C25H34N4O3S.ClH/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);1H/t17-,22+;/m1./s1.
What are the key properties of propan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride?
propan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride has a molecular weight of 507.10 g/mol, XLogP of 5.54, 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-[(2R,4S)-1-acetyl-2-methyl-6-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride is sourced from PubChem (CID 52933147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).