N-(2-aminophenyl)-10-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxydecanamide

C31H37N5O3 — CID 170554620

IUPACN-(2-aminophenyl)-10-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxydecanamide
SMILESCOc1ccc(-c2cc(OCCCCCCCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cn1
InChIInChI=1S/C31H37N5O3/c1-22-25-18-24(23-15-16-30(38-2)33-20-23)19-28(31(25)35-21-34-22)39-17-11-7-5-3-4-6-8-14-29(37)36-27-13-10-9-12-26(27)32/h9-10,12-13,15-16,18-21H,3-8,11,14,17,32H2,1-2H3,(H,36,37)
InChIKeyVRPBAJQNXMUSBR-UHFFFAOYSA-N
MW527.67 g/mol
LogP6.73
Rot. Bonds14

About N-(2-aminophenyl)-10-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxydecanamide

N-(2-aminophenyl)-10-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxydecanamide (PubChem CID 170554620) has the molecular formula C31H37N5O3 and a molecular weight of 527.67 g/mol. Its IUPAC name is N-(2-aminophenyl)-10-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxydecanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-10-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxydecanamide
PubChem CID170554620
Molecular FormulaC31H37N5O3
Molecular Weight527.67 g/mol
Exact Mass527.29
IUPAC NameN-(2-aminophenyl)-10-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxydecanamide
SMILESCOc1ccc(-c2cc(OCCCCCCCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cn1
InChIInChI=1S/C31H37N5O3/c1-22-25-18-24(23-15-16-30(38-2)33-20-23)19-28(31(25)35-21-34-22)39-17-11-7-5-3-4-6-8-14-29(37)36-27-13-10-9-12-26(27)32/h9-10,12-13,15-16,18-21H,3-8,11,14,17,32H2,1-2H3,(H,36,37)
InChIKeyVRPBAJQNXMUSBR-UHFFFAOYSA-N
XLogP6.73
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.67
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-10-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxydecanamide?
The IUPAC name of N-(2-aminophenyl)-10-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxydecanamide (CID 170554620) is N-(2-aminophenyl)-10-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxydecanamide.
What is the SMILES notation for N-(2-aminophenyl)-10-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxydecanamide?
The canonical SMILES for N-(2-aminophenyl)-10-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxydecanamide is COc1ccc(-c2cc(OCCCCCCCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cn1.
What is the InChIKey of N-(2-aminophenyl)-10-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxydecanamide?
The InChIKey is VRPBAJQNXMUSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N5O3/c1-22-25-18-24(23-15-16-30(38-2)33-20-23)19-28(31(25)35-21-34-22)39-17-11-7-5-3-4-6-8-14-29(37)36-27-13-10-9-12-26(27)32/h9-10,12-13,15-16,18-21H,3-8,11,14,17,32H2,1-2H3,(H,36,37).
What are the key properties of N-(2-aminophenyl)-10-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxydecanamide?
N-(2-aminophenyl)-10-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxydecanamide has a molecular weight of 527.67 g/mol, XLogP of 6.73, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-10-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxydecanamide is sourced from PubChem (CID 170554620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).