[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl] carbamate

C14H18N2O3 — CID 175072095

IUPAC[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl] carbamate
SMILESCCC(=O)N1c2ccccc2[C@H](OC(N)=O)C[C@@H]1C
InChIInChI=1S/C14H18N2O3/c1-3-13(17)16-9(2)8-12(19-14(15)18)10-6-4-5-7-11(10)16/h4-7,9,12H,3,8H2,1-2H3,(H2,15,18)/t9-,12+/m0/s1
InChIKeyPUHNLNIFMFFKER-JOYOIKCWSA-N
MW262.31 g/mol
LogP2.36
Rot. Bonds2

About [(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl] carbamate

[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl] carbamate (PubChem CID 175072095) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is [(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl] carbamate.

Molecular Properties

Compound Name[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl] carbamate
PubChem CID175072095
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl] carbamate
SMILESCCC(=O)N1c2ccccc2[C@H](OC(N)=O)C[C@@H]1C
InChIInChI=1S/C14H18N2O3/c1-3-13(17)16-9(2)8-12(19-14(15)18)10-6-4-5-7-11(10)16/h4-7,9,12H,3,8H2,1-2H3,(H2,15,18)/t9-,12+/m0/s1
InChIKeyPUHNLNIFMFFKER-JOYOIKCWSA-N
XLogP2.36
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 1100225
N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide
CID 3103979
2-amino-N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]acetamide
CID 153348007
N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
CID 1315658
N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-2-phenoxy-N-phenylacetamide
CID 17354822
1-[2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 139548220
[4-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]anilino]-4-oxobut-2-ynyl] carbamate
CID 175077941
N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanamide
CID 160893183
(2R)-2-amino-N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanamide
CID 153347967
methyl 8-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]octanoate
CID 153347882
4-[[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]methyl]benzoic acid
CID 153348024
ethyl 2-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]cyclohexylidene]acetate
CID 153348087

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl] carbamate?
The IUPAC name of [(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl] carbamate (CID 175072095) is [(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl] carbamate.
What is the SMILES notation for [(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl] carbamate?
The canonical SMILES for [(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl] carbamate is CCC(=O)N1c2ccccc2[C@H](OC(N)=O)C[C@@H]1C.
What is the InChIKey of [(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl] carbamate?
The InChIKey is PUHNLNIFMFFKER-JOYOIKCWSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-13(17)16-9(2)8-12(19-14(15)18)10-6-4-5-7-11(10)16/h4-7,9,12H,3,8H2,1-2H3,(H2,15,18)/t9-,12+/m0/s1.
What are the key properties of [(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl] carbamate?
[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl] carbamate has a molecular weight of 262.31 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl] carbamate is sourced from PubChem (CID 175072095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).