2-[2-aminoethyl-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-4-methylpentanamide

C27H34N4O4 — CID 142846836

IUPAC2-[2-aminoethyl-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-4-methylpentanamide
SMILESCc1cc(COc2ccc(CC(=O)N(CCN)C(CC(C)C)C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C27H34N4O4/c1-18(2)14-25(27(33)30-34)31(13-12-28)26(32)16-20-8-10-22(11-9-20)35-17-21-15-19(3)29-24-7-5-4-6-23(21)24/h4-11,15,18,25,34H,12-14,16-17,28H2,1-3H3,(H,30,33)
InChIKeyMZYHZDZAWIFHFO-UHFFFAOYSA-N
MW478.59 g/mol
LogP3.37
Rot. Bonds11

About 2-[2-aminoethyl-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-4-methylpentanamide

2-[2-aminoethyl-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-4-methylpentanamide (PubChem CID 142846836) has the molecular formula C27H34N4O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is 2-[2-aminoethyl-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name2-[2-aminoethyl-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-4-methylpentanamide
PubChem CID142846836
Molecular FormulaC27H34N4O4
Molecular Weight478.59 g/mol
Exact Mass478.26
IUPAC Name2-[2-aminoethyl-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-4-methylpentanamide
SMILESCc1cc(COc2ccc(CC(=O)N(CCN)C(CC(C)C)C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C27H34N4O4/c1-18(2)14-25(27(33)30-34)31(13-12-28)26(32)16-20-8-10-22(11-9-20)35-17-21-15-19(3)29-24-7-5-4-6-23(21)24/h4-11,15,18,25,34H,12-14,16-17,28H2,1-3H3,(H,30,33)
InChIKeyMZYHZDZAWIFHFO-UHFFFAOYSA-N
XLogP3.37
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 53.37
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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Related Compounds

2-[(2S)-2-(diethylamino)-3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 140702154
[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methanamine
CID 22148915
cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
CID 59978458
ethyl 2-[[1-(hydroxyamino)-1-oxopropan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
CID 20748653
N,3-dihydroxy-2-[(4-methoxyphenyl)methyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]propanamide
CID 10367542
2-[[2-amino-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-2-methylpropanamide
CID 22616989
N-hydroxy-4-methyl-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]pentanamide
CID 118559738
cis-ethyl (1R,2S)-2-[[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
CID 59978428
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
N,3-dihydroxy-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-(pyridin-3-ylmethyl)propanamide
CID 10456088
1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 67562723
N-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidine-1-carboxamide
CID 22616988

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-4-methylpentanamide?
The IUPAC name of 2-[2-aminoethyl-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-4-methylpentanamide (CID 142846836) is 2-[2-aminoethyl-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-4-methylpentanamide.
What is the SMILES notation for 2-[2-aminoethyl-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-4-methylpentanamide?
The canonical SMILES for 2-[2-aminoethyl-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-4-methylpentanamide is Cc1cc(COc2ccc(CC(=O)N(CCN)C(CC(C)C)C(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of 2-[2-aminoethyl-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-4-methylpentanamide?
The InChIKey is MZYHZDZAWIFHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4/c1-18(2)14-25(27(33)30-34)31(13-12-28)26(32)16-20-8-10-22(11-9-20)35-17-21-15-19(3)29-24-7-5-4-6-23(21)24/h4-11,15,18,25,34H,12-14,16-17,28H2,1-3H3,(H,30,33).
What are the key properties of 2-[2-aminoethyl-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-4-methylpentanamide?
2-[2-aminoethyl-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-4-methylpentanamide has a molecular weight of 478.59 g/mol, XLogP of 3.37, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-4-methylpentanamide is sourced from PubChem (CID 142846836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).