4-ethoxy-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]quinazoline;hydrochloride

C30H33ClN8O — CID 57462081

IUPAC4-ethoxy-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]quinazoline;hydrochloride
SMILESCCOc1nc(-c2ccc(-c3cnc([C@@H]4CCCN4)[nH]3)cc2)nc2ccc(-c3cnc([C@@H]4CCCN4)[nH]3)cc12.Cl
InChIInChI=1S/C30H32N8O.ClH/c1-2-39-30-21-15-20(26-17-34-29(37-26)24-6-4-14-32-24)11-12-22(21)35-27(38-30)19-9-7-18(8-10-19)25-16-33-28(36-25)23-5-3-13-31-23;/h7-12,15-17,23-24,31-32H,2-6,13-14H2,1H3,(H,33,36)(H,34,37);1H/t23-,24-;/m0./s1
InChIKeyGPWUXFLEVOKXIF-UKOKCHKQSA-N
MW557.10 g/mol
LogP5.75
Rot. Bonds7

About 4-ethoxy-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]quinazoline;hydrochloride

4-ethoxy-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]quinazoline;hydrochloride (PubChem CID 57462081) has the molecular formula C30H33ClN8O and a molecular weight of 557.10 g/mol. Its IUPAC name is 4-ethoxy-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]quinazoline;hydrochloride.

Molecular Properties

Compound Name4-ethoxy-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]quinazoline;hydrochloride
PubChem CID57462081
Molecular FormulaC30H33ClN8O
Molecular Weight557.10 g/mol
Exact Mass556.25
IUPAC Name4-ethoxy-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]quinazoline;hydrochloride
SMILESCCOc1nc(-c2ccc(-c3cnc([C@@H]4CCCN4)[nH]3)cc2)nc2ccc(-c3cnc([C@@H]4CCCN4)[nH]3)cc12.Cl
InChIInChI=1S/C30H32N8O.ClH/c1-2-39-30-21-15-20(26-17-34-29(37-26)24-6-4-14-32-24)11-12-22(21)35-27(38-30)19-9-7-18(8-10-19)25-16-33-28(36-25)23-5-3-13-31-23;/h7-12,15-17,23-24,31-32H,2-6,13-14H2,1H3,(H,33,36)(H,34,37);1H/t23-,24-;/m0./s1
InChIKeyGPWUXFLEVOKXIF-UKOKCHKQSA-N
XLogP5.75
TPSA116.43 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.10
LogP ≤ 55.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-ethoxy-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]quinazoline;hydrochloride with MolForge

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Related Compounds

5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole
CID 43650691
3-methoxy-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]quinoxaline
CID 57462084
2-[(2S)-pyrrolidin-2-yl]-6-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazole
CID 59450040
6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-pyridinyl]quinazoline;hydrochloride
CID 57462088
2-[(2S)-pyrrolidin-2-yl]-6-[6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-benzimidazole
CID 66982264
2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole
CID 67003843
5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 124681351
6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole
CID 116877525
2-[5-(4-propoxyphenyl)-1H-imidazol-2-yl]piperidine
CID 43651080
2-pyrrolidin-2-yl-5-[4-[5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole
CID 77449174
2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyridine
CID 24950799
2-[(2S)-pyrrolidin-2-yl]-5-[4-[[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazole
CID 58209611

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]quinazoline;hydrochloride?
The IUPAC name of 4-ethoxy-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]quinazoline;hydrochloride (CID 57462081) is 4-ethoxy-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]quinazoline;hydrochloride.
What is the SMILES notation for 4-ethoxy-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]quinazoline;hydrochloride?
The canonical SMILES for 4-ethoxy-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]quinazoline;hydrochloride is CCOc1nc(-c2ccc(-c3cnc([C@@H]4CCCN4)[nH]3)cc2)nc2ccc(-c3cnc([C@@H]4CCCN4)[nH]3)cc12.Cl.
What is the InChIKey of 4-ethoxy-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]quinazoline;hydrochloride?
The InChIKey is GPWUXFLEVOKXIF-UKOKCHKQSA-N. The full InChI is InChI=1S/C30H32N8O.ClH/c1-2-39-30-21-15-20(26-17-34-29(37-26)24-6-4-14-32-24)11-12-22(21)35-27(38-30)19-9-7-18(8-10-19)25-16-33-28(36-25)23-5-3-13-31-23;/h7-12,15-17,23-24,31-32H,2-6,13-14H2,1H3,(H,33,36)(H,34,37);1H/t23-,24-;/m0./s1.
What are the key properties of 4-ethoxy-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]quinazoline;hydrochloride?
4-ethoxy-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]quinazoline;hydrochloride has a molecular weight of 557.10 g/mol, XLogP of 5.75, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]quinazoline;hydrochloride is sourced from PubChem (CID 57462081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).