N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide

C19H26N4O2 — CID 121346670

IUPACN-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide
SMILESCc1nc(C(C)(C)NC(=O)C2CNCCOC2)c2cccc(C)c2n1
InChIInChI=1S/C19H26N4O2/c1-12-6-5-7-15-16(12)21-13(2)22-17(15)19(3,4)23-18(24)14-10-20-8-9-25-11-14/h5-7,14,20H,8-11H2,1-4H3,(H,23,24)
InChIKeyMIVUIRSHAOZMGR-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.83
Rot. Bonds3

About N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide

N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide (PubChem CID 121346670) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide
PubChem CID121346670
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide
SMILESCc1nc(C(C)(C)NC(=O)C2CNCCOC2)c2cccc(C)c2n1
InChIInChI=1S/C19H26N4O2/c1-12-6-5-7-15-16(12)21-13(2)22-17(15)19(3,4)23-18(24)14-10-20-8-9-25-11-14/h5-7,14,20H,8-11H2,1-4H3,(H,23,24)
InChIKeyMIVUIRSHAOZMGR-UHFFFAOYSA-N
XLogP1.83
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide?
The IUPAC name of N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide (CID 121346670) is N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide.
What is the SMILES notation for N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide?
The canonical SMILES for N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide is Cc1nc(C(C)(C)NC(=O)C2CNCCOC2)c2cccc(C)c2n1.
What is the InChIKey of N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide?
The InChIKey is MIVUIRSHAOZMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12-6-5-7-15-16(12)21-13(2)22-17(15)19(3,4)23-18(24)14-10-20-8-9-25-11-14/h5-7,14,20H,8-11H2,1-4H3,(H,23,24).
What are the key properties of N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide?
N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide is sourced from PubChem (CID 121346670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).