N,2-dihydroxy-5-methyl-3-[(2R)-2-methyl-4-quinolin-3-ylpiperazine-1-carbonyl]hexanamide

C22H30N4O4 — CID 140522547

IUPACN,2-dihydroxy-5-methyl-3-[(2R)-2-methyl-4-quinolin-3-ylpiperazine-1-carbonyl]hexanamide
SMILESCC(C)CC(C(=O)N1CCN(c2cnc3ccccc3c2)C[C@H]1C)C(O)C(=O)NO
InChIInChI=1S/C22H30N4O4/c1-14(2)10-18(20(27)21(28)24-30)22(29)26-9-8-25(13-15(26)3)17-11-16-6-4-5-7-19(16)23-12-17/h4-7,11-12,14-15,18,20,27,30H,8-10,13H2,1-3H3,(H,24,28)/t15-,18?,20?/m1/s1
InChIKeyJWKFAZIASWBOPL-MYWSLZCHSA-N
MW414.51 g/mol
LogP1.80
Rot. Bonds6

About N,2-dihydroxy-5-methyl-3-[(2R)-2-methyl-4-quinolin-3-ylpiperazine-1-carbonyl]hexanamide

N,2-dihydroxy-5-methyl-3-[(2R)-2-methyl-4-quinolin-3-ylpiperazine-1-carbonyl]hexanamide (PubChem CID 140522547) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is N,2-dihydroxy-5-methyl-3-[(2R)-2-methyl-4-quinolin-3-ylpiperazine-1-carbonyl]hexanamide.

Molecular Properties

Compound NameN,2-dihydroxy-5-methyl-3-[(2R)-2-methyl-4-quinolin-3-ylpiperazine-1-carbonyl]hexanamide
PubChem CID140522547
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC NameN,2-dihydroxy-5-methyl-3-[(2R)-2-methyl-4-quinolin-3-ylpiperazine-1-carbonyl]hexanamide
SMILESCC(C)CC(C(=O)N1CCN(c2cnc3ccccc3c2)C[C@H]1C)C(O)C(=O)NO
InChIInChI=1S/C22H30N4O4/c1-14(2)10-18(20(27)21(28)24-30)22(29)26-9-8-25(13-15(26)3)17-11-16-6-4-5-7-19(16)23-12-17/h4-7,11-12,14-15,18,20,27,30H,8-10,13H2,1-3H3,(H,24,28)/t15-,18?,20?/m1/s1
InChIKeyJWKFAZIASWBOPL-MYWSLZCHSA-N
XLogP1.80
TPSA106.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dihydroxy-5-methyl-3-[(2R)-2-methyl-4-quinolin-3-ylpiperazine-1-carbonyl]hexanamide?
The IUPAC name of N,2-dihydroxy-5-methyl-3-[(2R)-2-methyl-4-quinolin-3-ylpiperazine-1-carbonyl]hexanamide (CID 140522547) is N,2-dihydroxy-5-methyl-3-[(2R)-2-methyl-4-quinolin-3-ylpiperazine-1-carbonyl]hexanamide.
What is the SMILES notation for N,2-dihydroxy-5-methyl-3-[(2R)-2-methyl-4-quinolin-3-ylpiperazine-1-carbonyl]hexanamide?
The canonical SMILES for N,2-dihydroxy-5-methyl-3-[(2R)-2-methyl-4-quinolin-3-ylpiperazine-1-carbonyl]hexanamide is CC(C)CC(C(=O)N1CCN(c2cnc3ccccc3c2)C[C@H]1C)C(O)C(=O)NO.
What is the InChIKey of N,2-dihydroxy-5-methyl-3-[(2R)-2-methyl-4-quinolin-3-ylpiperazine-1-carbonyl]hexanamide?
The InChIKey is JWKFAZIASWBOPL-MYWSLZCHSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-14(2)10-18(20(27)21(28)24-30)22(29)26-9-8-25(13-15(26)3)17-11-16-6-4-5-7-19(16)23-12-17/h4-7,11-12,14-15,18,20,27,30H,8-10,13H2,1-3H3,(H,24,28)/t15-,18?,20?/m1/s1.
What are the key properties of N,2-dihydroxy-5-methyl-3-[(2R)-2-methyl-4-quinolin-3-ylpiperazine-1-carbonyl]hexanamide?
N,2-dihydroxy-5-methyl-3-[(2R)-2-methyl-4-quinolin-3-ylpiperazine-1-carbonyl]hexanamide has a molecular weight of 414.51 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dihydroxy-5-methyl-3-[(2R)-2-methyl-4-quinolin-3-ylpiperazine-1-carbonyl]hexanamide is sourced from PubChem (CID 140522547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).