imidazolidin-1-yl-[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]methanol

C22H23N5OS — CID 153030707

IUPACimidazolidin-1-yl-[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]methanol
SMILESC[C@@H](Nc1ncc2ccc3sc(C(O)N4CCNC4)cc3c2n1)c1ccccc1
InChIInChI=1S/C22H23N5OS/c1-14(15-5-3-2-4-6-15)25-22-24-12-16-7-8-18-17(20(16)26-22)11-19(29-18)21(28)27-10-9-23-13-27/h2-8,11-12,14,21,23,28H,9-10,13H2,1H3,(H,24,25,26)/t14-,21?/m1/s1
InChIKeyVDTFFGJKMJPJHQ-CKAQCJTGSA-N
MW405.53 g/mol
LogP3.87
Rot. Bonds5

About imidazolidin-1-yl-[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]methanol

imidazolidin-1-yl-[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]methanol (PubChem CID 153030707) has the molecular formula C22H23N5OS and a molecular weight of 405.53 g/mol. Its IUPAC name is imidazolidin-1-yl-[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]methanol.

Molecular Properties

Compound Nameimidazolidin-1-yl-[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]methanol
PubChem CID153030707
Molecular FormulaC22H23N5OS
Molecular Weight405.53 g/mol
Exact Mass405.16
IUPAC Nameimidazolidin-1-yl-[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]methanol
SMILESC[C@@H](Nc1ncc2ccc3sc(C(O)N4CCNC4)cc3c2n1)c1ccccc1
InChIInChI=1S/C22H23N5OS/c1-14(15-5-3-2-4-6-15)25-22-24-12-16-7-8-18-17(20(16)26-22)11-19(29-18)21(28)27-10-9-23-13-27/h2-8,11-12,14,21,23,28H,9-10,13H2,1H3,(H,24,25,26)/t14-,21?/m1/s1
InChIKeyVDTFFGJKMJPJHQ-CKAQCJTGSA-N
XLogP3.87
TPSA73.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze imidazolidin-1-yl-[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]methanol with MolForge

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Related Compounds

8-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-h]quinazolin-2-amine
CID 147935865
[2-(2-phenylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
CID 59262640
[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
CID 59262751
N-[(1-acetylpyrrolidin-3-yl)methyl]-2-(3-tert-butylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide;(4-methylpiperazin-1-yl)-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;morpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone;[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
CID 158958269
piperazin-1-yl-[2-(3-pyridin-3-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone
CID 59262756
1-phenyl-2-piperazin-1-ylpropan-1-ol
CID 82264476
4-[2-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol
CID 90977535
[2-(1-phenylethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249920
phenyl(piperazin-1-yl)methanol
CID 23037926
2-[[(1S)-1-phenylethyl]amino]pyrimidine-5-carboxamide
CID 141139654
[2-(1-phenylethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109256499
4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890728

Frequently Asked Questions

What is the IUPAC name of imidazolidin-1-yl-[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]methanol?
The IUPAC name of imidazolidin-1-yl-[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]methanol (CID 153030707) is imidazolidin-1-yl-[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]methanol.
What is the SMILES notation for imidazolidin-1-yl-[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]methanol?
The canonical SMILES for imidazolidin-1-yl-[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]methanol is C[C@@H](Nc1ncc2ccc3sc(C(O)N4CCNC4)cc3c2n1)c1ccccc1.
What is the InChIKey of imidazolidin-1-yl-[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]methanol?
The InChIKey is VDTFFGJKMJPJHQ-CKAQCJTGSA-N. The full InChI is InChI=1S/C22H23N5OS/c1-14(15-5-3-2-4-6-15)25-22-24-12-16-7-8-18-17(20(16)26-22)11-19(29-18)21(28)27-10-9-23-13-27/h2-8,11-12,14,21,23,28H,9-10,13H2,1H3,(H,24,25,26)/t14-,21?/m1/s1.
What are the key properties of imidazolidin-1-yl-[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]methanol?
imidazolidin-1-yl-[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]methanol has a molecular weight of 405.53 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for imidazolidin-1-yl-[2-[[(1R)-1-phenylethyl]amino]thieno[2,3-h]quinazolin-8-yl]methanol is sourced from PubChem (CID 153030707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).