N-hydroxy-5-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide

C22H26N4O4 — CID 122550174

IUPACN-hydroxy-5-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide
SMILESCOc1ccc(N(C)c2nc(C)nc3ccccc23)cc1OCCCCC(=O)NO
InChIInChI=1S/C22H26N4O4/c1-15-23-18-9-5-4-8-17(18)22(24-15)26(2)16-11-12-19(29-3)20(14-16)30-13-7-6-10-21(27)25-28/h4-5,8-9,11-12,14,28H,6-7,10,13H2,1-3H3,(H,25,27)
InChIKeyRSCCJCHEZJEYKQ-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.77
Rot. Bonds9

About N-hydroxy-5-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide

N-hydroxy-5-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide (PubChem CID 122550174) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-hydroxy-5-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide.

Molecular Properties

Compound NameN-hydroxy-5-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide
PubChem CID122550174
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC NameN-hydroxy-5-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide
SMILESCOc1ccc(N(C)c2nc(C)nc3ccccc23)cc1OCCCCC(=O)NO
InChIInChI=1S/C22H26N4O4/c1-15-23-18-9-5-4-8-17(18)22(24-15)26(2)16-11-12-19(29-3)20(14-16)30-13-7-6-10-21(27)25-28/h4-5,8-9,11-12,14,28H,6-7,10,13H2,1-3H3,(H,25,27)
InChIKeyRSCCJCHEZJEYKQ-UHFFFAOYSA-N
XLogP3.77
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Related Compounds

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CID 2092
Erlotinib
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Terazosin
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Alfuzosin Hydrochloride
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Erlotinib Hydrochloride
CID 176871
Bunazosin
CID 2472
Icotinib
CID 22024915
Cudc-101
CID 24756910
Terazosin Hydrochloride
CID 63016
6,7-dimethoxy-N-phenylquinazolin-4-amine
CID 3798
Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(1-oxo-3-phenyl-2-propenyl)-
CID 6447063

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide?
The IUPAC name of N-hydroxy-5-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide (CID 122550174) is N-hydroxy-5-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide.
What is the SMILES notation for N-hydroxy-5-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide?
The canonical SMILES for N-hydroxy-5-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide is COc1ccc(N(C)c2nc(C)nc3ccccc23)cc1OCCCCC(=O)NO.
What is the InChIKey of N-hydroxy-5-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide?
The InChIKey is RSCCJCHEZJEYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-15-23-18-9-5-4-8-17(18)22(24-15)26(2)16-11-12-19(29-3)20(14-16)30-13-7-6-10-21(27)25-28/h4-5,8-9,11-12,14,28H,6-7,10,13H2,1-3H3,(H,25,27).
What are the key properties of N-hydroxy-5-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide?
N-hydroxy-5-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide has a molecular weight of 410.47 g/mol, XLogP of 3.77, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide is sourced from PubChem (CID 122550174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).