2-[ethyl-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl]amino]-N-hydroxypyrimidine-5-carboxamide

C24H25N7O4 — CID 155567228

IUPAC2-[ethyl-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESCCN(CCOc1cc(-c2ccc(OC)nc2)cc2c(C)ncnc12)c1ncc(C(=O)NO)cn1
InChIInChI=1S/C24H25N7O4/c1-4-31(24-26-12-18(13-27-24)23(32)30-33)7-8-35-20-10-17(16-5-6-21(34-3)25-11-16)9-19-15(2)28-14-29-22(19)20/h5-6,9-14,33H,4,7-8H2,1-3H3,(H,30,32)
InChIKeyDLYOQRJYUGBDPJ-UHFFFAOYSA-N
MW475.51 g/mol
LogP2.82
Rot. Bonds9

About 2-[ethyl-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl]amino]-N-hydroxypyrimidine-5-carboxamide

2-[ethyl-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl]amino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 155567228) has the molecular formula C24H25N7O4 and a molecular weight of 475.51 g/mol. Its IUPAC name is 2-[ethyl-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl]amino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[ethyl-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl]amino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID155567228
Molecular FormulaC24H25N7O4
Molecular Weight475.51 g/mol
Exact Mass475.20
IUPAC Name2-[ethyl-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESCCN(CCOc1cc(-c2ccc(OC)nc2)cc2c(C)ncnc12)c1ncc(C(=O)NO)cn1
InChIInChI=1S/C24H25N7O4/c1-4-31(24-26-12-18(13-27-24)23(32)30-33)7-8-35-20-10-17(16-5-6-21(34-3)25-11-16)9-19-15(2)28-14-29-22(19)20/h5-6,9-14,33H,4,7-8H2,1-3H3,(H,30,32)
InChIKeyDLYOQRJYUGBDPJ-UHFFFAOYSA-N
XLogP2.82
TPSA135.48 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl]amino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[ethyl-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl]amino]-N-hydroxypyrimidine-5-carboxamide (CID 155567228) is 2-[ethyl-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl]amino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[ethyl-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl]amino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[ethyl-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl]amino]-N-hydroxypyrimidine-5-carboxamide is CCN(CCOc1cc(-c2ccc(OC)nc2)cc2c(C)ncnc12)c1ncc(C(=O)NO)cn1.
What is the InChIKey of 2-[ethyl-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl]amino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is DLYOQRJYUGBDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O4/c1-4-31(24-26-12-18(13-27-24)23(32)30-33)7-8-35-20-10-17(16-5-6-21(34-3)25-11-16)9-19-15(2)28-14-29-22(19)20/h5-6,9-14,33H,4,7-8H2,1-3H3,(H,30,32).
What are the key properties of 2-[ethyl-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl]amino]-N-hydroxypyrimidine-5-carboxamide?
2-[ethyl-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl]amino]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 475.51 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyethyl]amino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 155567228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).