[2-(1-naphthalen-1-ylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone

C27H25N5OS — CID 59262627

IUPAC[2-(1-naphthalen-1-ylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
SMILESCC(Nc1ncc2ccc3sc(C(=O)N4CCNCC4)cc3c2n1)c1cccc2ccccc12
InChIInChI=1S/C27H25N5OS/c1-17(20-8-4-6-18-5-2-3-7-21(18)20)30-27-29-16-19-9-10-23-22(25(19)31-27)15-24(34-23)26(33)32-13-11-28-12-14-32/h2-10,15-17,28H,11-14H2,1H3,(H,29,30,31)
InChIKeyLCLWTNZUBUJZID-UHFFFAOYSA-N
MW467.60 g/mol
LogP5.22
Rot. Bonds4

About [2-(1-naphthalen-1-ylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone

[2-(1-naphthalen-1-ylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone (PubChem CID 59262627) has the molecular formula C27H25N5OS and a molecular weight of 467.60 g/mol. Its IUPAC name is [2-(1-naphthalen-1-ylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-(1-naphthalen-1-ylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
PubChem CID59262627
Molecular FormulaC27H25N5OS
Molecular Weight467.60 g/mol
Exact Mass467.18
IUPAC Name[2-(1-naphthalen-1-ylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
SMILESCC(Nc1ncc2ccc3sc(C(=O)N4CCNCC4)cc3c2n1)c1cccc2ccccc12
InChIInChI=1S/C27H25N5OS/c1-17(20-8-4-6-18-5-2-3-7-21(18)20)30-27-29-16-19-9-10-23-22(25(19)31-27)15-24(34-23)26(33)32-13-11-28-12-14-32/h2-10,15-17,28H,11-14H2,1H3,(H,29,30,31)
InChIKeyLCLWTNZUBUJZID-UHFFFAOYSA-N
XLogP5.22
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.60
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(1-naphthalen-1-ylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone with MolForge

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Related Compounds

(4-(4-(Benzo(b)thiophen-2-yl)pyrimidin-2-ylamino)phenyl)(4-(pyrrolidin-1-yl)piperidin-1-yl)methanone
CID 9549298
Benzothienopyrimidinone deriv., 16b
CID 135927964
4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)-N-(2-(dimethylamino)ethyl)benzamide
CID 44406379
4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)-N-(2-(pyrrolidin-1-yl)ethyl)benzamide
CID 44406386
(4-(4-(Benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)phenyl)(4-(dimethylamino)piperidin-1-yl)methanone
CID 44406419
N-(2-aminoethyl)-4-(4-(benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)benzamide
CID 44406470
(R)-10-Methyl-3-pyrimidin-5-yl-9,10,11,12-tetrahydro-7-thia-4,9,12-triaza-naphtho[1,2-a]azulen-8-one
CID 45270159
3-[2-[4-(4-ethylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-7-yl]-N-methylbenzamide
CID 90466694
[4-[[4-(1-Benzothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]-[4-[methyl(propyl)amino]piperidin-1-yl]methanone
CID 168272150
4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]-N-[3-(dimethylamino)propyl]benzamide
CID 168273198
[4-[[4-(1-Benzothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 168282216
[4-[[4-(1-Benzothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 168287581

Frequently Asked Questions

What is the IUPAC name of [2-(1-naphthalen-1-ylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
The IUPAC name of [2-(1-naphthalen-1-ylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone (CID 59262627) is [2-(1-naphthalen-1-ylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-(1-naphthalen-1-ylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-(1-naphthalen-1-ylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone is CC(Nc1ncc2ccc3sc(C(=O)N4CCNCC4)cc3c2n1)c1cccc2ccccc12.
What is the InChIKey of [2-(1-naphthalen-1-ylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
The InChIKey is LCLWTNZUBUJZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5OS/c1-17(20-8-4-6-18-5-2-3-7-21(18)20)30-27-29-16-19-9-10-23-22(25(19)31-27)15-24(34-23)26(33)32-13-11-28-12-14-32/h2-10,15-17,28H,11-14H2,1H3,(H,29,30,31).
What are the key properties of [2-(1-naphthalen-1-ylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
[2-(1-naphthalen-1-ylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone has a molecular weight of 467.60 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-naphthalen-1-ylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 59262627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).