N-(2-aminophenyl)-9-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxynonanamide

C30H35N5O3 — CID 170554561

IUPACN-(2-aminophenyl)-9-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxynonanamide
SMILESCOc1ccc(-c2cc(OCCCCCCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cn1
InChIInChI=1S/C30H35N5O3/c1-21-24-17-23(22-14-15-29(37-2)32-19-22)18-27(30(24)34-20-33-21)38-16-10-6-4-3-5-7-13-28(36)35-26-12-9-8-11-25(26)31/h8-9,11-12,14-15,17-20H,3-7,10,13,16,31H2,1-2H3,(H,35,36)
InChIKeyDVVQBESAECVRJN-UHFFFAOYSA-N
MW513.64 g/mol
LogP6.34
Rot. Bonds13

About N-(2-aminophenyl)-9-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxynonanamide

N-(2-aminophenyl)-9-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxynonanamide (PubChem CID 170554561) has the molecular formula C30H35N5O3 and a molecular weight of 513.64 g/mol. Its IUPAC name is N-(2-aminophenyl)-9-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxynonanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-9-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxynonanamide
PubChem CID170554561
Molecular FormulaC30H35N5O3
Molecular Weight513.64 g/mol
Exact Mass513.27
IUPAC NameN-(2-aminophenyl)-9-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxynonanamide
SMILESCOc1ccc(-c2cc(OCCCCCCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cn1
InChIInChI=1S/C30H35N5O3/c1-21-24-17-23(22-14-15-29(37-2)32-19-22)18-27(30(24)34-20-33-21)38-16-10-6-4-3-5-7-13-28(36)35-26-12-9-8-11-25(26)31/h8-9,11-12,14-15,17-20H,3-7,10,13,16,31H2,1-2H3,(H,35,36)
InChIKeyDVVQBESAECVRJN-UHFFFAOYSA-N
XLogP6.34
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 56.34
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)-9-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxynonanamide?
The IUPAC name of N-(2-aminophenyl)-9-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxynonanamide (CID 170554561) is N-(2-aminophenyl)-9-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxynonanamide.
What is the SMILES notation for N-(2-aminophenyl)-9-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxynonanamide?
The canonical SMILES for N-(2-aminophenyl)-9-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxynonanamide is COc1ccc(-c2cc(OCCCCCCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cn1.
What is the InChIKey of N-(2-aminophenyl)-9-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxynonanamide?
The InChIKey is DVVQBESAECVRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O3/c1-21-24-17-23(22-14-15-29(37-2)32-19-22)18-27(30(24)34-20-33-21)38-16-10-6-4-3-5-7-13-28(36)35-26-12-9-8-11-25(26)31/h8-9,11-12,14-15,17-20H,3-7,10,13,16,31H2,1-2H3,(H,35,36).
What are the key properties of N-(2-aminophenyl)-9-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxynonanamide?
N-(2-aminophenyl)-9-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxynonanamide has a molecular weight of 513.64 g/mol, XLogP of 6.34, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-9-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxynonanamide is sourced from PubChem (CID 170554561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).