N-hydroxy-8-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]octanamide

C24H30N4O3 — CID 25226359

IUPACN-hydroxy-8-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]octanamide
SMILESCOc1ccc(N(C)c2nc(CCCCCCCC(=O)NO)nc3ccccc23)cc1
InChIInChI=1S/C24H30N4O3/c1-28(18-14-16-19(31-2)17-15-18)24-20-10-8-9-11-21(20)25-22(26-24)12-6-4-3-5-7-13-23(29)27-30/h8-11,14-17,30H,3-7,12-13H2,1-2H3,(H,27,29)
InChIKeyQRDVBUSHYSVDNV-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.79
Rot. Bonds11

About N-hydroxy-8-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]octanamide

N-hydroxy-8-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]octanamide (PubChem CID 25226359) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-hydroxy-8-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]octanamide.

Molecular Properties

Compound NameN-hydroxy-8-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]octanamide
PubChem CID25226359
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC NameN-hydroxy-8-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]octanamide
SMILESCOc1ccc(N(C)c2nc(CCCCCCCC(=O)NO)nc3ccccc23)cc1
InChIInChI=1S/C24H30N4O3/c1-28(18-14-16-19(31-2)17-15-18)24-20-10-8-9-11-21(20)25-22(26-24)12-6-4-3-5-7-13-23(29)27-30/h8-11,14-17,30H,3-7,12-13H2,1-2H3,(H,27,29)
InChIKeyQRDVBUSHYSVDNV-UHFFFAOYSA-N
XLogP4.79
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze N-hydroxy-8-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]octanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-amino-1-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]pentan-3-one
CID 158409488
5-[[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]methoxy]pentanoic acid
CID 90926744
N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]pentanamide
CID 134186540
N-hydroxy-2-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]acetamide
CID 122550234
methyl 3-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]oxypropanoate
CID 71063625
2-[(heptylamino)methyl]-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
CID 143778204
(E)-7-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]hept-6-enoic acid
CID 68853969
[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]methyl-triphenylphosphanium chloride
CID 87600940
7-[N-(benzylcarbamoyl)-4-methoxyanilino]-N-hydroxyheptanamide
CID 11372956
N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide
CID 71661021
2-hydrazinyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
CID 11702079
5-[2-ethyl-5-[ethyl-(2-methylquinazolin-4-yl)amino]phenyl]-N-hydroxypentanamide
CID 134186574

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-8-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]octanamide?
The IUPAC name of N-hydroxy-8-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]octanamide (CID 25226359) is N-hydroxy-8-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]octanamide.
What is the SMILES notation for N-hydroxy-8-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]octanamide?
The canonical SMILES for N-hydroxy-8-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]octanamide is COc1ccc(N(C)c2nc(CCCCCCCC(=O)NO)nc3ccccc23)cc1.
What is the InChIKey of N-hydroxy-8-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]octanamide?
The InChIKey is QRDVBUSHYSVDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-28(18-14-16-19(31-2)17-15-18)24-20-10-8-9-11-21(20)25-22(26-24)12-6-4-3-5-7-13-23(29)27-30/h8-11,14-17,30H,3-7,12-13H2,1-2H3,(H,27,29).
What are the key properties of N-hydroxy-8-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]octanamide?
N-hydroxy-8-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]octanamide has a molecular weight of 422.53 g/mol, XLogP of 4.79, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-8-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]octanamide is sourced from PubChem (CID 25226359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).