N-[4-(hydroxycarbamoyl)pyrrolidin-3-yl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide

C25H25N5O3 — CID 22258552

IUPACN-[4-(hydroxycarbamoyl)pyrrolidin-3-yl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide
SMILESCc1cc(Cn2ccc3cc(C(=O)NC4CNCC4C(=O)NO)ccc32)c2ccccc2n1
InChIInChI=1S/C25H25N5O3/c1-15-10-18(19-4-2-3-5-21(19)27-15)14-30-9-8-16-11-17(6-7-23(16)30)24(31)28-22-13-26-12-20(22)25(32)29-33/h2-11,20,22,26,33H,12-14H2,1H3,(H,28,31)(H,29,32)
InChIKeyBHRQYCSPMOHYNF-UHFFFAOYSA-N
MW443.51 g/mol
LogP2.37
Rot. Bonds5

About N-[4-(hydroxycarbamoyl)pyrrolidin-3-yl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide

N-[4-(hydroxycarbamoyl)pyrrolidin-3-yl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide (PubChem CID 22258552) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-[4-(hydroxycarbamoyl)pyrrolidin-3-yl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxycarbamoyl)pyrrolidin-3-yl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide
PubChem CID22258552
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC NameN-[4-(hydroxycarbamoyl)pyrrolidin-3-yl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide
SMILESCc1cc(Cn2ccc3cc(C(=O)NC4CNCC4C(=O)NO)ccc32)c2ccccc2n1
InChIInChI=1S/C25H25N5O3/c1-15-10-18(19-4-2-3-5-21(19)27-15)14-30-9-8-16-11-17(6-7-23(16)30)24(31)28-22-13-26-12-20(22)25(32)29-33/h2-11,20,22,26,33H,12-14H2,1H3,(H,28,31)(H,29,32)
InChIKeyBHRQYCSPMOHYNF-UHFFFAOYSA-N
XLogP2.37
TPSA108.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 52.37
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

4-[[1-[(2-methylquinolin-4-yl)methyl]indole-5-carbonyl]amino]pyrrolidine-3-carboxylic acid
CID 141053192
N-hydroxy-4-[[2-[1-[(2-methylquinolin-4-yl)methyl]indol-5-yl]acetyl]amino]pyrrolidine-3-carboxamide
CID 139969118
(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-[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
N-[2-(hydroxycarbamoyl)cyclopentyl]-6-[(2-methylquinolin-4-yl)methoxy]naphthalene-2-carboxamide
CID 22258460
(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 91465181
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxycarbamoyl)pyrrolidin-3-yl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide?
The IUPAC name of N-[4-(hydroxycarbamoyl)pyrrolidin-3-yl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide (CID 22258552) is N-[4-(hydroxycarbamoyl)pyrrolidin-3-yl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide.
What is the SMILES notation for N-[4-(hydroxycarbamoyl)pyrrolidin-3-yl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide?
The canonical SMILES for N-[4-(hydroxycarbamoyl)pyrrolidin-3-yl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide is Cc1cc(Cn2ccc3cc(C(=O)NC4CNCC4C(=O)NO)ccc32)c2ccccc2n1.
What is the InChIKey of N-[4-(hydroxycarbamoyl)pyrrolidin-3-yl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide?
The InChIKey is BHRQYCSPMOHYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-15-10-18(19-4-2-3-5-21(19)27-15)14-30-9-8-16-11-17(6-7-23(16)30)24(31)28-22-13-26-12-20(22)25(32)29-33/h2-11,20,22,26,33H,12-14H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-[4-(hydroxycarbamoyl)pyrrolidin-3-yl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide?
N-[4-(hydroxycarbamoyl)pyrrolidin-3-yl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 2.37, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxycarbamoyl)pyrrolidin-3-yl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide is sourced from PubChem (CID 22258552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).