azepan-1-yl-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]methanone

C24H28N4OS — CID 24508180

IUPACazepan-1-yl-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2nc(-c3ccsc3)nc3ccccc23)CC1)N1CCCCCC1
InChIInChI=1S/C24H28N4OS/c29-24(28-12-5-1-2-6-13-28)18-9-14-27(15-10-18)23-20-7-3-4-8-21(20)25-22(26-23)19-11-16-30-17-19/h3-4,7-8,11,16-18H,1-2,5-6,9-10,12-15H2
InChIKeyAMTPVSNLLAOCPX-UHFFFAOYSA-N
MW420.58 g/mol
LogP4.98
Rot. Bonds3

About azepan-1-yl-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]methanone

azepan-1-yl-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]methanone (PubChem CID 24508180) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is azepan-1-yl-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]methanone
PubChem CID24508180
Molecular FormulaC24H28N4OS
Molecular Weight420.58 g/mol
Exact Mass420.20
IUPAC Nameazepan-1-yl-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2nc(-c3ccsc3)nc3ccccc23)CC1)N1CCCCCC1
InChIInChI=1S/C24H28N4OS/c29-24(28-12-5-1-2-6-13-28)18-9-14-27(15-10-18)23-20-7-3-4-8-21(20)25-22(26-23)19-11-16-30-17-19/h3-4,7-8,11,16-18H,1-2,5-6,9-10,12-15H2
InChIKeyAMTPVSNLLAOCPX-UHFFFAOYSA-N
XLogP4.98
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze azepan-1-yl-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]methanone with MolForge

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Related Compounds

1-phenyl-3-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]urea
CID 60570235
N-cyclopropyl-1-(2-thiophen-3-ylquinazolin-4-yl)piperidine-3-carboxamide
CID 49431387
[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 27816575
4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline
CID 133280022
4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-ylquinazoline
CID 133458583
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiophen-3-ylquinazoline
CID 133335933
piperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone
CID 42749462
2-thiophen-3-yl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]quinazoline
CID 55377922
4-piperidin-1-yl-2-pyridin-4-ylquinazoline
CID 820815
azepan-1-yl-[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone
CID 8548115
(3S)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-3-carboxamide
CID 94434184
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 3415222

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]methanone?
The IUPAC name of azepan-1-yl-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]methanone (CID 24508180) is azepan-1-yl-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]methanone.
What is the SMILES notation for azepan-1-yl-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]methanone?
The canonical SMILES for azepan-1-yl-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2nc(-c3ccsc3)nc3ccccc23)CC1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]methanone?
The InChIKey is AMTPVSNLLAOCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS/c29-24(28-12-5-1-2-6-13-28)18-9-14-27(15-10-18)23-20-7-3-4-8-21(20)25-22(26-23)19-11-16-30-17-19/h3-4,7-8,11,16-18H,1-2,5-6,9-10,12-15H2.
What are the key properties of azepan-1-yl-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]methanone?
azepan-1-yl-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]methanone has a molecular weight of 420.58 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 24508180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).