azepan-1-yl-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl]methanone

C19H28N4O — CID 129369350

IUPACazepan-1-yl-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl]methanone
SMILESO=C([C@H]1CCc2nc(N3CCCC3)ncc2C1)N1CCCCCC1
InChIInChI=1S/C19H28N4O/c24-18(22-9-3-1-2-4-10-22)15-7-8-17-16(13-15)14-20-19(21-17)23-11-5-6-12-23/h14-15H,1-13H2/t15-/m0/s1
InChIKeyXNFGJUYQZICRNS-HNNXBMFYSA-N
MW328.46 g/mol
LogP2.58
Rot. Bonds2

About azepan-1-yl-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl]methanone

azepan-1-yl-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl]methanone (PubChem CID 129369350) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is azepan-1-yl-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl]methanone
PubChem CID129369350
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Nameazepan-1-yl-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl]methanone
SMILESO=C([C@H]1CCc2nc(N3CCCC3)ncc2C1)N1CCCCCC1
InChIInChI=1S/C19H28N4O/c24-18(22-9-3-1-2-4-10-22)15-7-8-17-16(13-15)14-20-19(21-17)23-11-5-6-12-23/h14-15H,1-13H2/t15-/m0/s1
InChIKeyXNFGJUYQZICRNS-HNNXBMFYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl]methanone?
The IUPAC name of azepan-1-yl-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl]methanone (CID 129369350) is azepan-1-yl-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl]methanone.
What is the SMILES notation for azepan-1-yl-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl]methanone?
The canonical SMILES for azepan-1-yl-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl]methanone is O=C([C@H]1CCc2nc(N3CCCC3)ncc2C1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl]methanone?
The InChIKey is XNFGJUYQZICRNS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N4O/c24-18(22-9-3-1-2-4-10-22)15-7-8-17-16(13-15)14-20-19(21-17)23-11-5-6-12-23/h14-15H,1-13H2/t15-/m0/s1.
What are the key properties of azepan-1-yl-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl]methanone?
azepan-1-yl-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl]methanone has a molecular weight of 328.46 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl]methanone is sourced from PubChem (CID 129369350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).