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

C22H28N4O2 — CID 153347967

IUPAC(2R)-2-amino-N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanamide
SMILESCCC(=O)N1c2ccccc2[C@H](Nc2ccc(NC(=O)[C@@H](C)N)cc2)C[C@@H]1C
InChIInChI=1S/C22H28N4O2/c1-4-21(27)26-14(2)13-19(18-7-5-6-8-20(18)26)24-16-9-11-17(12-10-16)25-22(28)15(3)23/h5-12,14-15,19,24H,4,13,23H2,1-3H3,(H,25,28)/t14-,15+,19+/m0/s1
InChIKeyHWKJDZBAQDXNGV-QMTMVMCOSA-N
MW380.49 g/mol
LogP3.66
Rot. Bonds5

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

(2R)-2-amino-N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanamide (PubChem CID 153347967) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanamide
PubChem CID153347967
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name(2R)-2-amino-N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanamide
SMILESCCC(=O)N1c2ccccc2[C@H](Nc2ccc(NC(=O)[C@@H](C)N)cc2)C[C@@H]1C
InChIInChI=1S/C22H28N4O2/c1-4-21(27)26-14(2)13-19(18-7-5-6-8-20(18)26)24-16-9-11-17(12-10-16)25-22(28)15(3)23/h5-12,14-15,19,24H,4,13,23H2,1-3H3,(H,25,28)/t14-,15+,19+/m0/s1
InChIKeyHWKJDZBAQDXNGV-QMTMVMCOSA-N
XLogP3.66
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanamide (CID 153347967) is (2R)-2-amino-N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanamide is CCC(=O)N1c2ccccc2[C@H](Nc2ccc(NC(=O)[C@@H](C)N)cc2)C[C@@H]1C.
What is the InChIKey of (2R)-2-amino-N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanamide?
The InChIKey is HWKJDZBAQDXNGV-QMTMVMCOSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-4-21(27)26-14(2)13-19(18-7-5-6-8-20(18)26)24-16-9-11-17(12-10-16)25-22(28)15(3)23/h5-12,14-15,19,24H,4,13,23H2,1-3H3,(H,25,28)/t14-,15+,19+/m0/s1.
What are the key properties of (2R)-2-amino-N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanamide?
(2R)-2-amino-N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanamide has a molecular weight of 380.49 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanamide is sourced from PubChem (CID 153347967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).