N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]piperidine-4-carboxamide;hydrochloride

C25H33ClN4O2 — CID 153348206

IUPACN-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCCC(=O)N1c2ccccc2[C@H](Nc2ccc(NC(=O)C3CCNCC3)cc2)C[C@@H]1C.Cl
InChIInChI=1S/C25H32N4O2.ClH/c1-3-24(30)29-17(2)16-22(21-6-4-5-7-23(21)29)27-19-8-10-20(11-9-19)28-25(31)18-12-14-26-15-13-18;/h4-11,17-18,22,26-27H,3,12-16H2,1-2H3,(H,28,31);1H/t17-,22+;/m0./s1
InChIKeyGRULQPQFSPRQQP-OTCZLQCGSA-N
MW457.02 g/mol
LogP4.73
Rot. Bonds5

About N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]piperidine-4-carboxamide;hydrochloride

N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 153348206) has the molecular formula C25H33ClN4O2 and a molecular weight of 457.02 g/mol. Its IUPAC name is N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID153348206
Molecular FormulaC25H33ClN4O2
Molecular Weight457.02 g/mol
Exact Mass456.23
IUPAC NameN-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCCC(=O)N1c2ccccc2[C@H](Nc2ccc(NC(=O)C3CCNCC3)cc2)C[C@@H]1C.Cl
InChIInChI=1S/C25H32N4O2.ClH/c1-3-24(30)29-17(2)16-22(21-6-4-5-7-23(21)29)27-19-8-10-20(11-9-19)28-25(31)18-12-14-26-15-13-18;/h4-11,17-18,22,26-27H,3,12-16H2,1-2H3,(H,28,31);1H/t17-,22+;/m0./s1
InChIKeyGRULQPQFSPRQQP-OTCZLQCGSA-N
XLogP4.73
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.02
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanamide
CID 160893183
1-[2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 139548220
2-amino-N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]acetamide
CID 153348007
N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]cyclohexyl]-2-[[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]carbamoylamino]acetamide
CID 175825505
[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-(3-aminopropyl)-4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzamide;hydrochloride
CID 153347898
N-(2-aminoethyl)-4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzenesulfonamide
CID 153347937
1-[(2S,4R)-2-methyl-4-[4-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)ethyl]anilino]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 172702231
2-[[4-(2-bromoethoxy)phenyl]carbamoylamino]-N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]acetamide
CID 177135069
4-[(2S,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutanoate
CID 7283388
[1-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoyl]azetidin-3-yl]carbamic acid
CID 175073231
N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43708676

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]piperidine-4-carboxamide;hydrochloride (CID 153348206) is N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]piperidine-4-carboxamide;hydrochloride is CCC(=O)N1c2ccccc2[C@H](Nc2ccc(NC(=O)C3CCNCC3)cc2)C[C@@H]1C.Cl.
What is the InChIKey of N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is GRULQPQFSPRQQP-OTCZLQCGSA-N. The full InChI is InChI=1S/C25H32N4O2.ClH/c1-3-24(30)29-17(2)16-22(21-6-4-5-7-23(21)29)27-19-8-10-20(11-9-19)28-25(31)18-12-14-26-15-13-18;/h4-11,17-18,22,26-27H,3,12-16H2,1-2H3,(H,28,31);1H/t17-,22+;/m0./s1.
What are the key properties of N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]piperidine-4-carboxamide;hydrochloride?
N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 457.02 g/mol, XLogP of 4.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 153348206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).