(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone

C24H25N5O2S — CID 59262797

IUPAC(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone
SMILESCC(C)Oc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCC(N)C5)cc4c3n2)c1
InChIInChI=1S/C24H25N5O2S/c1-14(2)31-18-5-3-4-17(10-18)27-24-26-12-15-6-7-20-19(22(15)28-24)11-21(32-20)23(30)29-9-8-16(25)13-29/h3-7,10-12,14,16H,8-9,13,25H2,1-2H3,(H,26,27,28)
InChIKeyUZDRCRKKMMBKOC-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.55
Rot. Bonds5

About (3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone

(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone (PubChem CID 59262797) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone
PubChem CID59262797
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC Name(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone
SMILESCC(C)Oc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCC(N)C5)cc4c3n2)c1
InChIInChI=1S/C24H25N5O2S/c1-14(2)31-18-5-3-4-17(10-18)27-24-26-12-15-6-7-20-19(22(15)28-24)11-21(32-20)23(30)29-9-8-16(25)13-29/h3-7,10-12,14,16H,8-9,13,25H2,1-2H3,(H,26,27,28)
InChIKeyUZDRCRKKMMBKOC-UHFFFAOYSA-N
XLogP4.55
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone (CID 59262797) is (3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone is CC(C)Oc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCC(N)C5)cc4c3n2)c1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone?
The InChIKey is UZDRCRKKMMBKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-14(2)31-18-5-3-4-17(10-18)27-24-26-12-15-6-7-20-19(22(15)28-24)11-21(32-20)23(30)29-9-8-16(25)13-29/h3-7,10-12,14,16H,8-9,13,25H2,1-2H3,(H,26,27,28).
What are the key properties of (3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone?
(3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone has a molecular weight of 447.56 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone is sourced from PubChem (CID 59262797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).