N-[[4-(benzylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxynonanediamide

C27H32N4O4 — CID 122182514

IUPACN-[[4-(benzylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxynonanediamide
SMILESO=C(CCCCCCCC(=O)NCc1cc(C(=O)NCc2ccccc2)c2ccccc2n1)NO
InChIInChI=1S/C27H32N4O4/c32-25(15-7-2-1-3-8-16-26(33)31-35)28-19-21-17-23(22-13-9-10-14-24(22)30-21)27(34)29-18-20-11-5-4-6-12-20/h4-6,9-14,17,35H,1-3,7-8,15-16,18-19H2,(H,28,32)(H,29,34)(H,31,33)
InChIKeySWCQOTVPKRNBCS-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.02
Rot. Bonds13

About N-[[4-(benzylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxynonanediamide

N-[[4-(benzylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxynonanediamide (PubChem CID 122182514) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-[[4-(benzylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxynonanediamide.

Molecular Properties

Compound NameN-[[4-(benzylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxynonanediamide
PubChem CID122182514
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC NameN-[[4-(benzylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxynonanediamide
SMILESO=C(CCCCCCCC(=O)NCc1cc(C(=O)NCc2ccccc2)c2ccccc2n1)NO
InChIInChI=1S/C27H32N4O4/c32-25(15-7-2-1-3-8-16-26(33)31-35)28-19-21-17-23(22-13-9-10-14-24(22)30-21)27(34)29-18-20-11-5-4-6-12-20/h4-6,9-14,17,35H,1-3,7-8,15-16,18-19H2,(H,28,32)(H,29,34)(H,31,33)
InChIKeySWCQOTVPKRNBCS-UHFFFAOYSA-N
XLogP4.02
TPSA120.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[[4-(benzylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxynonanediamide?
The IUPAC name of N-[[4-(benzylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxynonanediamide (CID 122182514) is N-[[4-(benzylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxynonanediamide.
What is the SMILES notation for N-[[4-(benzylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxynonanediamide?
The canonical SMILES for N-[[4-(benzylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxynonanediamide is O=C(CCCCCCCC(=O)NCc1cc(C(=O)NCc2ccccc2)c2ccccc2n1)NO.
What is the InChIKey of N-[[4-(benzylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxynonanediamide?
The InChIKey is SWCQOTVPKRNBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c32-25(15-7-2-1-3-8-16-26(33)31-35)28-19-21-17-23(22-13-9-10-14-24(22)30-21)27(34)29-18-20-11-5-4-6-12-20/h4-6,9-14,17,35H,1-3,7-8,15-16,18-19H2,(H,28,32)(H,29,34)(H,31,33).
What are the key properties of N-[[4-(benzylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxynonanediamide?
N-[[4-(benzylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxynonanediamide has a molecular weight of 476.58 g/mol, XLogP of 4.02, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzylcarbamoyl)quinolin-2-yl]methyl]-N'-hydroxynonanediamide is sourced from PubChem (CID 122182514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).