[2-[[(1S,2R)-2-phenylcyclopropyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone

C24H23N5OS — CID 59262818

IUPAC[2-[[(1S,2R)-2-phenylcyclopropyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
SMILESO=C(c1cc2c(ccc3cnc(N[C@H]4C[C@@H]4c4ccccc4)nc32)s1)N1CCNCC1
InChIInChI=1S/C24H23N5OS/c30-23(29-10-8-25-9-11-29)21-13-18-20(31-21)7-6-16-14-26-24(28-22(16)18)27-19-12-17(19)15-4-2-1-3-5-15/h1-7,13-14,17,19,25H,8-12H2,(H,26,27,28)/t17-,19+/m1/s1
InChIKeyKNSWKNYODMQQND-MJGOQNOKSA-N
MW429.55 g/mol
LogP3.86
Rot. Bonds4

About [2-[[(1S,2R)-2-phenylcyclopropyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone

[2-[[(1S,2R)-2-phenylcyclopropyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone (PubChem CID 59262818) has the molecular formula C24H23N5OS and a molecular weight of 429.55 g/mol. Its IUPAC name is [2-[[(1S,2R)-2-phenylcyclopropyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-[[(1S,2R)-2-phenylcyclopropyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
PubChem CID59262818
Molecular FormulaC24H23N5OS
Molecular Weight429.55 g/mol
Exact Mass429.16
IUPAC Name[2-[[(1S,2R)-2-phenylcyclopropyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
SMILESO=C(c1cc2c(ccc3cnc(N[C@H]4C[C@@H]4c4ccccc4)nc32)s1)N1CCNCC1
InChIInChI=1S/C24H23N5OS/c30-23(29-10-8-25-9-11-29)21-13-18-20(31-21)7-6-16-14-26-24(28-22(16)18)27-19-12-17(19)15-4-2-1-3-5-15/h1-7,13-14,17,19,25H,8-12H2,(H,26,27,28)/t17-,19+/m1/s1
InChIKeyKNSWKNYODMQQND-MJGOQNOKSA-N
XLogP3.86
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[[(1S,2R)-2-phenylcyclopropyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
The IUPAC name of [2-[[(1S,2R)-2-phenylcyclopropyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone (CID 59262818) is [2-[[(1S,2R)-2-phenylcyclopropyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-[[(1S,2R)-2-phenylcyclopropyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-[[(1S,2R)-2-phenylcyclopropyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone is O=C(c1cc2c(ccc3cnc(N[C@H]4C[C@@H]4c4ccccc4)nc32)s1)N1CCNCC1.
What is the InChIKey of [2-[[(1S,2R)-2-phenylcyclopropyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
The InChIKey is KNSWKNYODMQQND-MJGOQNOKSA-N. The full InChI is InChI=1S/C24H23N5OS/c30-23(29-10-8-25-9-11-29)21-13-18-20(31-21)7-6-16-14-26-24(28-22(16)18)27-19-12-17(19)15-4-2-1-3-5-15/h1-7,13-14,17,19,25H,8-12H2,(H,26,27,28)/t17-,19+/m1/s1.
What are the key properties of [2-[[(1S,2R)-2-phenylcyclopropyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
[2-[[(1S,2R)-2-phenylcyclopropyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone has a molecular weight of 429.55 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S,2R)-2-phenylcyclopropyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 59262818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).