4-[[3-[[3-(2-methoxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide

C26H25N5O4 — CID 66763324

IUPAC4-[[3-[[3-(2-methoxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
SMILESCOCCOc1cccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)c1
InChIInChI=1S/C26H25N5O4/c1-34-11-12-35-20-8-3-6-18(14-20)26(33)31-19-7-2-5-17(13-19)15-28-25-22-10-4-9-21(24(27)32)23(22)29-16-30-25/h2-10,13-14,16H,11-12,15H2,1H3,(H2,27,32)(H,31,33)(H,28,29,30)
InChIKeyOVSOFMFOYROLMC-UHFFFAOYSA-N
MW471.52 g/mol
LogP3.62
Rot. Bonds10

About 4-[[3-[[3-(2-methoxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide

4-[[3-[[3-(2-methoxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide (PubChem CID 66763324) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is 4-[[3-[[3-(2-methoxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[3-[[3-(2-methoxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
PubChem CID66763324
Molecular FormulaC26H25N5O4
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC Name4-[[3-[[3-(2-methoxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
SMILESCOCCOc1cccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)c1
InChIInChI=1S/C26H25N5O4/c1-34-11-12-35-20-8-3-6-18(14-20)26(33)31-19-7-2-5-17(13-19)15-28-25-22-10-4-9-21(24(27)32)23(22)29-16-30-25/h2-10,13-14,16H,11-12,15H2,1H3,(H2,27,32)(H,31,33)(H,28,29,30)
InChIKeyOVSOFMFOYROLMC-UHFFFAOYSA-N
XLogP3.62
TPSA128.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[[3-(2-methoxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[3-[[3-(2-methoxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide (CID 66763324) is 4-[[3-[[3-(2-methoxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[3-[[3-(2-methoxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[3-[[3-(2-methoxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide is COCCOc1cccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)c1.
What is the InChIKey of 4-[[3-[[3-(2-methoxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide?
The InChIKey is OVSOFMFOYROLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4/c1-34-11-12-35-20-8-3-6-18(14-20)26(33)31-19-7-2-5-17(13-19)15-28-25-22-10-4-9-21(24(27)32)23(22)29-16-30-25/h2-10,13-14,16H,11-12,15H2,1H3,(H2,27,32)(H,31,33)(H,28,29,30).
What are the key properties of 4-[[3-[[3-(2-methoxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide?
4-[[3-[[3-(2-methoxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 3.62, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[[3-(2-methoxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 66763324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).