4-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxybutanamide

C19H19ClN4O4 — CID 122195526

IUPAC4-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxybutanamide
SMILESCOc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCCC(=O)NO
InChIInChI=1S/C19H19ClN4O4/c1-27-16-10-15-14(9-17(16)28-7-3-6-18(25)24-26)19(22-11-21-15)23-13-5-2-4-12(20)8-13/h2,4-5,8-11,26H,3,6-7H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyXASPRINVUUODIB-UHFFFAOYSA-N
MW402.84 g/mol
LogP3.70
Rot. Bonds8

About 4-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxybutanamide

4-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxybutanamide (PubChem CID 122195526) has the molecular formula C19H19ClN4O4 and a molecular weight of 402.84 g/mol. Its IUPAC name is 4-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxybutanamide.

Molecular Properties

Compound Name4-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxybutanamide
PubChem CID122195526
Molecular FormulaC19H19ClN4O4
Molecular Weight402.84 g/mol
Exact Mass402.11
IUPAC Name4-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxybutanamide
SMILESCOc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCCC(=O)NO
InChIInChI=1S/C19H19ClN4O4/c1-27-16-10-15-14(9-17(16)28-7-3-6-18(25)24-26)19(22-11-21-15)23-13-5-2-4-12(20)8-13/h2,4-5,8-11,26H,3,6-7H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyXASPRINVUUODIB-UHFFFAOYSA-N
XLogP3.70
TPSA105.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.84
LogP ≤ 53.70
H-Bond Donors ≤ 53
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

5-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxypentanamide
CID 122195527
2,3-dihydroxybutanedioic acid;7-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide
CID 25225113
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
4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxysulfanyl-N-hydroxybutanamide
CID 143645931
N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine
CID 163979167
N-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine
CID 122628510
N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]-N'-hydroxypentanediamide
CID 24945370
3-chloro-N-[5-[[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]amino]-2-pyridinyl]benzamide
CID 57447230
N-(3-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine
CID 122485483
3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 162673382
7-[4-(3-chloro-4-fluoroanilino)-6-methoxyquinazolin-7-yl]oxy-1-hydroxyheptan-2-one
CID 58172592

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxybutanamide?
The IUPAC name of 4-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxybutanamide (CID 122195526) is 4-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxybutanamide.
What is the SMILES notation for 4-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxybutanamide?
The canonical SMILES for 4-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxybutanamide is COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCCC(=O)NO.
What is the InChIKey of 4-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxybutanamide?
The InChIKey is XASPRINVUUODIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O4/c1-27-16-10-15-14(9-17(16)28-7-3-6-18(25)24-26)19(22-11-21-15)23-13-5-2-4-12(20)8-13/h2,4-5,8-11,26H,3,6-7H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of 4-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxybutanamide?
4-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxybutanamide has a molecular weight of 402.84 g/mol, XLogP of 3.70, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxybutanamide is sourced from PubChem (CID 122195526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).