N-hydroxy-4-[[2-[1-[(2-methylquinolin-4-yl)methyl]indol-5-yl]acetyl]amino]pyrrolidine-3-carboxamide

C26H27N5O3 — CID 139969118

IUPACN-hydroxy-4-[[2-[1-[(2-methylquinolin-4-yl)methyl]indol-5-yl]acetyl]amino]pyrrolidine-3-carboxamide
SMILESCc1cc(Cn2ccc3cc(CC(=O)NC4CNCC4C(=O)NO)ccc32)c2ccccc2n1
InChIInChI=1S/C26H27N5O3/c1-16-10-19(20-4-2-3-5-22(20)28-16)15-31-9-8-18-11-17(6-7-24(18)31)12-25(32)29-23-14-27-13-21(23)26(33)30-34/h2-11,21,23,27,34H,12-15H2,1H3,(H,29,32)(H,30,33)
InChIKeyNILGGNJHYNPZQH-UHFFFAOYSA-N
MW457.53 g/mol
LogP2.30
Rot. Bonds6

About N-hydroxy-4-[[2-[1-[(2-methylquinolin-4-yl)methyl]indol-5-yl]acetyl]amino]pyrrolidine-3-carboxamide

N-hydroxy-4-[[2-[1-[(2-methylquinolin-4-yl)methyl]indol-5-yl]acetyl]amino]pyrrolidine-3-carboxamide (PubChem CID 139969118) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-hydroxy-4-[[2-[1-[(2-methylquinolin-4-yl)methyl]indol-5-yl]acetyl]amino]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[[2-[1-[(2-methylquinolin-4-yl)methyl]indol-5-yl]acetyl]amino]pyrrolidine-3-carboxamide
PubChem CID139969118
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC NameN-hydroxy-4-[[2-[1-[(2-methylquinolin-4-yl)methyl]indol-5-yl]acetyl]amino]pyrrolidine-3-carboxamide
SMILESCc1cc(Cn2ccc3cc(CC(=O)NC4CNCC4C(=O)NO)ccc32)c2ccccc2n1
InChIInChI=1S/C26H27N5O3/c1-16-10-19(20-4-2-3-5-22(20)28-16)15-31-9-8-18-11-17(6-7-24(18)31)12-25(32)29-23-14-27-13-21(23)26(33)30-34/h2-11,21,23,27,34H,12-15H2,1H3,(H,29,32)(H,30,33)
InChIKeyNILGGNJHYNPZQH-UHFFFAOYSA-N
XLogP2.30
TPSA108.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 52.30
H-Bond Donors ≤ 54
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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Related Compounds

N-[4-(hydroxycarbamoyl)pyrrolidin-3-yl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide
CID 22258552
4-[[1-[(2-methylquinolin-4-yl)methyl]indole-5-carbonyl]amino]pyrrolidine-3-carboxylic acid
CID 141053192
(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 87907192
(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 87907236
N-[2-(hydroxycarbamoyl)cyclopentyl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide;N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide
CID 157388710
N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide
CID 73127838
(4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methyl]benzoyl]amino]-1-prop-2-ynylpyrrolidine-3-carboxamide
CID 87965882
N-[4-[2-(hydroxyamino)-2-oxoethyl]oxan-4-yl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 18379037
(3R,4R)-4-[[4-[(2-chlorobenzimidazol-1-yl)methyl]benzoyl]amino]-N-hydroxypyrrolidine-3-carboxamide
CID 10201827
N-[(1R,2S)-2-(hydroxycarbamoyl)-4-(methylamino)cyclopentyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 59876337
(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 91465181
2-(1-benzylindol-5-yl)acetic acid
CID 71441824

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[2-[1-[(2-methylquinolin-4-yl)methyl]indol-5-yl]acetyl]amino]pyrrolidine-3-carboxamide?
The IUPAC name of N-hydroxy-4-[[2-[1-[(2-methylquinolin-4-yl)methyl]indol-5-yl]acetyl]amino]pyrrolidine-3-carboxamide (CID 139969118) is N-hydroxy-4-[[2-[1-[(2-methylquinolin-4-yl)methyl]indol-5-yl]acetyl]amino]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-hydroxy-4-[[2-[1-[(2-methylquinolin-4-yl)methyl]indol-5-yl]acetyl]amino]pyrrolidine-3-carboxamide?
The canonical SMILES for N-hydroxy-4-[[2-[1-[(2-methylquinolin-4-yl)methyl]indol-5-yl]acetyl]amino]pyrrolidine-3-carboxamide is Cc1cc(Cn2ccc3cc(CC(=O)NC4CNCC4C(=O)NO)ccc32)c2ccccc2n1.
What is the InChIKey of N-hydroxy-4-[[2-[1-[(2-methylquinolin-4-yl)methyl]indol-5-yl]acetyl]amino]pyrrolidine-3-carboxamide?
The InChIKey is NILGGNJHYNPZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-16-10-19(20-4-2-3-5-22(20)28-16)15-31-9-8-18-11-17(6-7-24(18)31)12-25(32)29-23-14-27-13-21(23)26(33)30-34/h2-11,21,23,27,34H,12-15H2,1H3,(H,29,32)(H,30,33).
What are the key properties of N-hydroxy-4-[[2-[1-[(2-methylquinolin-4-yl)methyl]indol-5-yl]acetyl]amino]pyrrolidine-3-carboxamide?
N-hydroxy-4-[[2-[1-[(2-methylquinolin-4-yl)methyl]indol-5-yl]acetyl]amino]pyrrolidine-3-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 2.30, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[2-[1-[(2-methylquinolin-4-yl)methyl]indol-5-yl]acetyl]amino]pyrrolidine-3-carboxamide is sourced from PubChem (CID 139969118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).