1-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propan-2-one

C24H23N5O2S — CID 160610269

IUPAC1-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1
InChIInChI=1S/C24H23N5O2S/c1-15(30)11-16-3-2-4-18(12-16)27-24-26-14-17-5-6-20-19(22(17)28-24)13-21(32-20)23(31)29-9-7-25-8-10-29/h2-6,12-14,25H,7-11H2,1H3,(H,26,27,28)
InChIKeyRFKSMJMIRODPLK-UHFFFAOYSA-N
MW445.55 g/mol
LogP3.77
Rot. Bonds5

About 1-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propan-2-one

1-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propan-2-one (PubChem CID 160610269) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is 1-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propan-2-one
PubChem CID160610269
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC Name1-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1
InChIInChI=1S/C24H23N5O2S/c1-15(30)11-16-3-2-4-18(12-16)27-24-26-14-17-5-6-20-19(22(17)28-24)13-21(32-20)23(31)29-9-7-25-8-10-29/h2-6,12-14,25H,7-11H2,1H3,(H,26,27,28)
InChIKeyRFKSMJMIRODPLK-UHFFFAOYSA-N
XLogP3.77
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propan-2-one with MolForge

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Related Compounds

[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
CID 59262751
piperazin-1-yl-[2-(3-pyridin-3-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone
CID 59262756
[2-(2-phenylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
CID 59262640
piperazin-1-yl-[2-(2-pyridin-3-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone
CID 59262611
7-methoxy-1-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]heptan-2-one
CID 158802073
1-[4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 59262748
1-[3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one
CID 158190859
[2-[[(1S,2R)-2-phenylcyclopropyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
CID 59262818
(3-aminopyrrolidin-1-yl)-[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]methanone
CID 59262706
3-[[8-(3-aminopyrrolidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfinic acid
CID 70947123
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone
CID 59262879
3-[[2-(4-aminopiperidine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;[2-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;[2-[(4-methylsulfonylphenyl)methylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide
CID 158861665

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propan-2-one?
The IUPAC name of 1-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propan-2-one (CID 160610269) is 1-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propan-2-one.
What is the SMILES notation for 1-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propan-2-one?
The canonical SMILES for 1-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propan-2-one is CC(=O)Cc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1.
What is the InChIKey of 1-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propan-2-one?
The InChIKey is RFKSMJMIRODPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c1-15(30)11-16-3-2-4-18(12-16)27-24-26-14-17-5-6-20-19(22(17)28-24)13-21(32-20)23(31)29-9-7-25-8-10-29/h2-6,12-14,25H,7-11H2,1H3,(H,26,27,28).
What are the key properties of 1-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propan-2-one?
1-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propan-2-one has a molecular weight of 445.55 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propan-2-one is sourced from PubChem (CID 160610269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).