4-(3,4-dimethoxyanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]quinazoline-7-carboxamide

C24H29N5O5 — CID 165147958

IUPAC4-(3,4-dimethoxyanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]quinazoline-7-carboxamide
SMILESCOc1ccc(Nc2ncnc3cc(C(=O)NCCCCCCC(=O)NO)ccc23)cc1OC
InChIInChI=1S/C24H29N5O5/c1-33-20-11-9-17(14-21(20)34-2)28-23-18-10-8-16(13-19(18)26-15-27-23)24(31)25-12-6-4-3-5-7-22(30)29-32/h8-11,13-15,32H,3-7,12H2,1-2H3,(H,25,31)(H,29,30)(H,26,27,28)
InChIKeyNGWBAMTZYDXCFW-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.58
Rot. Bonds12

About 4-(3,4-dimethoxyanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]quinazoline-7-carboxamide

4-(3,4-dimethoxyanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]quinazoline-7-carboxamide (PubChem CID 165147958) has the molecular formula C24H29N5O5 and a molecular weight of 467.53 g/mol. Its IUPAC name is 4-(3,4-dimethoxyanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]quinazoline-7-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]quinazoline-7-carboxamide
PubChem CID165147958
Molecular FormulaC24H29N5O5
Molecular Weight467.53 g/mol
Exact Mass467.22
IUPAC Name4-(3,4-dimethoxyanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]quinazoline-7-carboxamide
SMILESCOc1ccc(Nc2ncnc3cc(C(=O)NCCCCCCC(=O)NO)ccc23)cc1OC
InChIInChI=1S/C24H29N5O5/c1-33-20-11-9-17(14-21(20)34-2)28-23-18-10-8-16(13-19(18)26-15-27-23)24(31)25-12-6-4-3-5-7-22(30)29-32/h8-11,13-15,32H,3-7,12H2,1-2H3,(H,25,31)(H,29,30)(H,26,27,28)
InChIKeyNGWBAMTZYDXCFW-UHFFFAOYSA-N
XLogP3.58
TPSA134.70 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

5-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxypentanamide
CID 122195527
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
N-[6-[[2-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]acetyl]amino]hexyl]propanamide
CID 59770632
4-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxybutanamide
CID 122195526
N-(3-methoxypropyl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide
CID 71001471
6-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyhexanamide
CID 127028037
7-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide
CID 127028038
6-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]sulfanyl-N-hydroxyhexanamide
CID 24944764
N-[6-(hydroxyamino)-6-oxohexyl]-2-methoxyquinoline-6-carboxamide
CID 86581151
4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxysulfanyl-N-hydroxybutanamide
CID 143645931
N-[7-(hydroxyamino)-7-oxoheptyl]-4-(methylamino)benzamide
CID 122548362
4-N-(3,4-dimethoxyphenyl)-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048755

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]quinazoline-7-carboxamide?
The IUPAC name of 4-(3,4-dimethoxyanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]quinazoline-7-carboxamide (CID 165147958) is 4-(3,4-dimethoxyanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]quinazoline-7-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxyanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]quinazoline-7-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxyanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]quinazoline-7-carboxamide is COc1ccc(Nc2ncnc3cc(C(=O)NCCCCCCC(=O)NO)ccc23)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]quinazoline-7-carboxamide?
The InChIKey is NGWBAMTZYDXCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O5/c1-33-20-11-9-17(14-21(20)34-2)28-23-18-10-8-16(13-19(18)26-15-27-23)24(31)25-12-6-4-3-5-7-22(30)29-32/h8-11,13-15,32H,3-7,12H2,1-2H3,(H,25,31)(H,29,30)(H,26,27,28).
What are the key properties of 4-(3,4-dimethoxyanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]quinazoline-7-carboxamide?
4-(3,4-dimethoxyanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]quinazoline-7-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 3.58, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]quinazoline-7-carboxamide is sourced from PubChem (CID 165147958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).