propan-2-yl N-[(2S,4R)-1-acetyl-6-[5-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate

C22H31N5O4 — CID 52934098

IUPACpropan-2-yl N-[(2S,4R)-1-acetyl-6-[5-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
SMILESCC(=O)N1c2ccc(-c3noc(CCN(C)C)n3)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C
InChIInChI=1S/C22H31N5O4/c1-13(2)30-22(29)23-18-11-14(3)27(15(4)28)19-8-7-16(12-17(18)19)21-24-20(31-25-21)9-10-26(5)6/h7-8,12-14,18H,9-11H2,1-6H3,(H,23,29)/t14-,18+/m0/s1
InChIKeyIHRGWLONTJKIQQ-KBXCAEBGSA-N
MW429.52 g/mol
LogP3.16
Rot. Bonds6

About propan-2-yl N-[(2S,4R)-1-acetyl-6-[5-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate

propan-2-yl N-[(2S,4R)-1-acetyl-6-[5-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate (PubChem CID 52934098) has the molecular formula C22H31N5O4 and a molecular weight of 429.52 g/mol. Its IUPAC name is propan-2-yl N-[(2S,4R)-1-acetyl-6-[5-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2S,4R)-1-acetyl-6-[5-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
PubChem CID52934098
Molecular FormulaC22H31N5O4
Molecular Weight429.52 g/mol
Exact Mass429.24
IUPAC Namepropan-2-yl N-[(2S,4R)-1-acetyl-6-[5-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
SMILESCC(=O)N1c2ccc(-c3noc(CCN(C)C)n3)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C
InChIInChI=1S/C22H31N5O4/c1-13(2)30-22(29)23-18-11-14(3)27(15(4)28)19-8-7-16(12-17(18)19)21-24-20(31-25-21)9-10-26(5)6/h7-8,12-14,18H,9-11H2,1-6H3,(H,23,29)/t14-,18+/m0/s1
InChIKeyIHRGWLONTJKIQQ-KBXCAEBGSA-N
XLogP3.16
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze propan-2-yl N-[(2S,4R)-1-acetyl-6-[5-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-3-yl]-2-methyl-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

Related Compounds

propan-2-yl N-[1-acetyl-2-methyl-6-[4-[(propan-2-ylamino)methyl]phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 123333686
propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-thiophen-3-yl-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 135141504
sodium 2-[(2R,4S)-1-acetyl-2-methyl-4-(propan-2-yloxycarbonylamino)-3,4-dihydro-2H-quinolin-6-yl]furan-3-carboxylate
CID 67194734
propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-[6-(methylamino)-3-pyridinyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride
CID 140591791
propan-2-yl N-[(2S,4R)-1-acetyl-6-(4-formylfuran-2-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 86669230
2-[4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-yloxycarbonylamino)-3,4-dihydro-2H-quinolin-6-yl]imidazol-1-yl]acetic acid
CID 52934562
propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-[3-(3-methylbutanoylamino)phenyl]-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 135142210
propan-2-yl N-[(2S,4R)-1-acetyl-6-[1-(2-aminoethyl)triazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate;hydrochloride
CID 52934099
propan-2-yl N-[(2S,4R)-1-acetyl-6-[3-(cyclopropanecarbonylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 135141810
propan-2-yl N-[(2R,4S)-1-acetyl-2-methyl-6-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 52932913
propan-2-yl N-[1-acetyl-6-[4-[(2-hydroxyethylamino)methyl]imidazol-1-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 75965171
4-[(2S,4R)-1-acetyl-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide
CID 71468142

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2S,4R)-1-acetyl-6-[5-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The IUPAC name of propan-2-yl N-[(2S,4R)-1-acetyl-6-[5-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate (CID 52934098) is propan-2-yl N-[(2S,4R)-1-acetyl-6-[5-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2S,4R)-1-acetyl-6-[5-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The canonical SMILES for propan-2-yl N-[(2S,4R)-1-acetyl-6-[5-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate is CC(=O)N1c2ccc(-c3noc(CCN(C)C)n3)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C.
What is the InChIKey of propan-2-yl N-[(2S,4R)-1-acetyl-6-[5-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
The InChIKey is IHRGWLONTJKIQQ-KBXCAEBGSA-N. The full InChI is InChI=1S/C22H31N5O4/c1-13(2)30-22(29)23-18-11-14(3)27(15(4)28)19-8-7-16(12-17(18)19)21-24-20(31-25-21)9-10-26(5)6/h7-8,12-14,18H,9-11H2,1-6H3,(H,23,29)/t14-,18+/m0/s1.
What are the key properties of propan-2-yl N-[(2S,4R)-1-acetyl-6-[5-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate?
propan-2-yl N-[(2S,4R)-1-acetyl-6-[5-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate has a molecular weight of 429.52 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2S,4R)-1-acetyl-6-[5-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-3-yl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate is sourced from PubChem (CID 52934098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).