N-hydroxy-4-[4-(3-methylanilino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxypentanamide

C23H25N5O4 — CID 141463657

IUPACN-hydroxy-4-[4-(3-methylanilino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxypentanamide
SMILESC=CC(=O)Nc1cc2c(Nc3cccc(C)c3)ncnc2cc1OC(C)CCC(=O)NO
InChIInChI=1S/C23H25N5O4/c1-4-21(29)27-19-11-17-18(12-20(19)32-15(3)8-9-22(30)28-31)24-13-25-23(17)26-16-7-5-6-14(2)10-16/h4-7,10-13,15,31H,1,8-9H2,2-3H3,(H,27,29)(H,28,30)(H,24,25,26)
InChIKeyDLVMXMYXJZUGMZ-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.86
Rot. Bonds9

About N-hydroxy-4-[4-(3-methylanilino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxypentanamide

N-hydroxy-4-[4-(3-methylanilino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxypentanamide (PubChem CID 141463657) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-hydroxy-4-[4-(3-methylanilino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxypentanamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-(3-methylanilino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxypentanamide
PubChem CID141463657
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC NameN-hydroxy-4-[4-(3-methylanilino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxypentanamide
SMILESC=CC(=O)Nc1cc2c(Nc3cccc(C)c3)ncnc2cc1OC(C)CCC(=O)NO
InChIInChI=1S/C23H25N5O4/c1-4-21(29)27-19-11-17-18(12-20(19)32-15(3)8-9-22(30)28-31)24-13-25-23(17)26-16-7-5-6-14(2)10-16/h4-7,10-13,15,31H,1,8-9H2,2-3H3,(H,27,29)(H,28,30)(H,24,25,26)
InChIKeyDLVMXMYXJZUGMZ-UHFFFAOYSA-N
XLogP3.86
TPSA125.47 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[4-(3-bromoanilino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxybutanoate
CID 150328696
N-[4-(3-bromoanilino)-7-(2-ethoxyethoxy)quinazolin-6-yl]prop-2-enamide
CID 69320575
N-[4-(3-bromoanilino)-7-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]quinazolin-6-yl]prop-2-enamide
CID 69314895
ethyl 3-[4-[1-[4-(3-bromoanilino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxypropyl]piperazin-1-yl]propanoate
CID 56997297
ethyl 2-[4-[3-[4-(3-methylanilino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxypropyl]piperazin-1-yl]acetate
CID 22270177
(E)-4-bromo-N-[4-(3-bromoanilino)-7-methoxyquinazolin-6-yl]but-2-enamide
CID 22269894
N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]-N'-hydroxypentanediamide
CID 24945370
ethyl 2-[4-[3-[4-(3-bromoanilino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxypropyl]piperazin-1-yl]acetate
CID 11490307
ethyl 2-[[4-[[7-methoxy-4-(3-methylanilino)quinazolin-6-yl]amino]-4-oxobut-2-enyl]-methylamino]acetate
CID 67024464
N-[4-(3-chloro-4-hydroxyanilino)-7-methoxyquinazolin-6-yl]prop-2-enamide
CID 53354143
N-[4-[[7-(2-methoxyethoxy)-6-(prop-2-enoylamino)quinazolin-4-yl]amino]-2-(trifluoromethyl)phenyl]prop-2-enamide
CID 66556108
N-[7-fluoro-4-(3-methylanilino)quinazolin-6-yl]acetamide
CID 19001462

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-(3-methylanilino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxypentanamide?
The IUPAC name of N-hydroxy-4-[4-(3-methylanilino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxypentanamide (CID 141463657) is N-hydroxy-4-[4-(3-methylanilino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxypentanamide.
What is the SMILES notation for N-hydroxy-4-[4-(3-methylanilino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxypentanamide?
The canonical SMILES for N-hydroxy-4-[4-(3-methylanilino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxypentanamide is C=CC(=O)Nc1cc2c(Nc3cccc(C)c3)ncnc2cc1OC(C)CCC(=O)NO.
What is the InChIKey of N-hydroxy-4-[4-(3-methylanilino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxypentanamide?
The InChIKey is DLVMXMYXJZUGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-4-21(29)27-19-11-17-18(12-20(19)32-15(3)8-9-22(30)28-31)24-13-25-23(17)26-16-7-5-6-14(2)10-16/h4-7,10-13,15,31H,1,8-9H2,2-3H3,(H,27,29)(H,28,30)(H,24,25,26).
What are the key properties of N-hydroxy-4-[4-(3-methylanilino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxypentanamide?
N-hydroxy-4-[4-(3-methylanilino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxypentanamide has a molecular weight of 435.48 g/mol, XLogP of 3.86, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-(3-methylanilino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxypentanamide is sourced from PubChem (CID 141463657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).