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4-methoxy-N-[3-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-7-carboxamide;molecular hydrogen

C23H25N3O4 — CID 155721911

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-methoxy-N-[3-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-7-carboxamide;molecular hydrogen
SMILESCOc1ccnc2cc(C(=O)Nc3cccc(C(=O)N4CCCOCC4)c3)ccc12.[H][H]
InChIInChI=1S/C23H23N3O4.H2/c1-29-21-8-9-24-20-15-16(6-7-19(20)21)22(27)25-18-5-2-4-17(14-18)23(28)26-10-3-12-30-13-11-26;/h2,4-9,14-15H,3,10-13H2,1H3,(H,25,27);1H
InChIKeyYAPCWEOIAUQBTN-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.60
Rot. Bonds4

About 4-methoxy-N-[3-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-7-carboxamide;molecular hydrogen

4-methoxy-N-[3-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-7-carboxamide;molecular hydrogen (PubChem CID 155721911) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 4-methoxy-N-[3-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-7-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name4-methoxy-N-[3-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-7-carboxamide;molecular hydrogen
PubChem CID155721911
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name4-methoxy-N-[3-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-7-carboxamide;molecular hydrogen
SMILESCOc1ccnc2cc(C(=O)Nc3cccc(C(=O)N4CCCOCC4)c3)ccc12.[H][H]
InChIInChI=1S/C23H23N3O4.H2/c1-29-21-8-9-24-20-15-16(6-7-19(20)21)22(27)25-18-5-2-4-17(14-18)23(28)26-10-3-12-30-13-11-26;/h2,4-9,14-15H,3,10-13H2,1H3,(H,25,27);1H
InChIKeyYAPCWEOIAUQBTN-UHFFFAOYSA-N
XLogP3.60
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-7-carboxamide;molecular hydrogen?
The IUPAC name of 4-methoxy-N-[3-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-7-carboxamide;molecular hydrogen (CID 155721911) is 4-methoxy-N-[3-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-7-carboxamide;molecular hydrogen.
What is the SMILES notation for 4-methoxy-N-[3-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-7-carboxamide;molecular hydrogen?
The canonical SMILES for 4-methoxy-N-[3-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-7-carboxamide;molecular hydrogen is COc1ccnc2cc(C(=O)Nc3cccc(C(=O)N4CCCOCC4)c3)ccc12.[H][H].
What is the InChIKey of 4-methoxy-N-[3-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-7-carboxamide;molecular hydrogen?
The InChIKey is YAPCWEOIAUQBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4.H2/c1-29-21-8-9-24-20-15-16(6-7-19(20)21)22(27)25-18-5-2-4-17(14-18)23(28)26-10-3-12-30-13-11-26;/h2,4-9,14-15H,3,10-13H2,1H3,(H,25,27);1H.
What are the key properties of 4-methoxy-N-[3-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-7-carboxamide;molecular hydrogen?
4-methoxy-N-[3-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-7-carboxamide;molecular hydrogen has a molecular weight of 407.47 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(1,4-oxazepane-4-carbonyl)phenyl]quinoline-7-carboxamide;molecular hydrogen is sourced from PubChem (CID 155721911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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