4-[[(2E,3E)-2,3-di(ethylidene)-7-[(6-methyl-3-pyridinyl)amino]-4-phenylquinoxalin-6-ylidene]amino]cyclohexan-1-ol

C30H33N5O — CID 87519550

IUPAC4-[[(2E,3E)-2,3-di(ethylidene)-7-[(6-methyl-3-pyridinyl)amino]-4-phenylquinoxalin-6-ylidene]amino]cyclohexan-1-ol
SMILESC/C=c1/nc2cc(Nc3ccc(C)nc3)/c(=N/C3CCC(O)CC3)cc-2n(-c2ccccc2)/c1=C/C
InChIInChI=1S/C30H33N5O/c1-4-25-29(5-2)35(23-9-7-6-8-10-23)30-18-27(32-21-13-15-24(36)16-14-21)26(17-28(30)34-25)33-22-12-11-20(3)31-19-22/h4-12,17-19,21,24,33,36H,13-16H2,1-3H3/b25-4+,29-5+,32-27+
InChIKeyZVVRMXNAECQKJO-VLJRFGMESA-N
MW479.63 g/mol
LogP4.23
Rot. Bonds4

About 4-[[(2E,3E)-2,3-di(ethylidene)-7-[(6-methyl-3-pyridinyl)amino]-4-phenylquinoxalin-6-ylidene]amino]cyclohexan-1-ol

4-[[(2E,3E)-2,3-di(ethylidene)-7-[(6-methyl-3-pyridinyl)amino]-4-phenylquinoxalin-6-ylidene]amino]cyclohexan-1-ol (PubChem CID 87519550) has the molecular formula C30H33N5O and a molecular weight of 479.63 g/mol. Its IUPAC name is 4-[[(2E,3E)-2,3-di(ethylidene)-7-[(6-methyl-3-pyridinyl)amino]-4-phenylquinoxalin-6-ylidene]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(2E,3E)-2,3-di(ethylidene)-7-[(6-methyl-3-pyridinyl)amino]-4-phenylquinoxalin-6-ylidene]amino]cyclohexan-1-ol
PubChem CID87519550
Molecular FormulaC30H33N5O
Molecular Weight479.63 g/mol
Exact Mass479.27
IUPAC Name4-[[(2E,3E)-2,3-di(ethylidene)-7-[(6-methyl-3-pyridinyl)amino]-4-phenylquinoxalin-6-ylidene]amino]cyclohexan-1-ol
SMILESC/C=c1/nc2cc(Nc3ccc(C)nc3)/c(=N/C3CCC(O)CC3)cc-2n(-c2ccccc2)/c1=C/C
InChIInChI=1S/C30H33N5O/c1-4-25-29(5-2)35(23-9-7-6-8-10-23)30-18-27(32-21-13-15-24(36)16-14-21)26(17-28(30)34-25)33-22-12-11-20(3)31-19-22/h4-12,17-19,21,24,33,36H,13-16H2,1-3H3/b25-4+,29-5+,32-27+
InChIKeyZVVRMXNAECQKJO-VLJRFGMESA-N
XLogP4.23
TPSA75.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2E,3E)-2,3-di(ethylidene)-7-[(6-methyl-3-pyridinyl)amino]-4-phenylquinoxalin-6-ylidene]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[(2E,3E)-2,3-di(ethylidene)-7-[(6-methyl-3-pyridinyl)amino]-4-phenylquinoxalin-6-ylidene]amino]cyclohexan-1-ol (CID 87519550) is 4-[[(2E,3E)-2,3-di(ethylidene)-7-[(6-methyl-3-pyridinyl)amino]-4-phenylquinoxalin-6-ylidene]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(2E,3E)-2,3-di(ethylidene)-7-[(6-methyl-3-pyridinyl)amino]-4-phenylquinoxalin-6-ylidene]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[(2E,3E)-2,3-di(ethylidene)-7-[(6-methyl-3-pyridinyl)amino]-4-phenylquinoxalin-6-ylidene]amino]cyclohexan-1-ol is C/C=c1/nc2cc(Nc3ccc(C)nc3)/c(=N/C3CCC(O)CC3)cc-2n(-c2ccccc2)/c1=C/C.
What is the InChIKey of 4-[[(2E,3E)-2,3-di(ethylidene)-7-[(6-methyl-3-pyridinyl)amino]-4-phenylquinoxalin-6-ylidene]amino]cyclohexan-1-ol?
The InChIKey is ZVVRMXNAECQKJO-VLJRFGMESA-N. The full InChI is InChI=1S/C30H33N5O/c1-4-25-29(5-2)35(23-9-7-6-8-10-23)30-18-27(32-21-13-15-24(36)16-14-21)26(17-28(30)34-25)33-22-12-11-20(3)31-19-22/h4-12,17-19,21,24,33,36H,13-16H2,1-3H3/b25-4+,29-5+,32-27+.
What are the key properties of 4-[[(2E,3E)-2,3-di(ethylidene)-7-[(6-methyl-3-pyridinyl)amino]-4-phenylquinoxalin-6-ylidene]amino]cyclohexan-1-ol?
4-[[(2E,3E)-2,3-di(ethylidene)-7-[(6-methyl-3-pyridinyl)amino]-4-phenylquinoxalin-6-ylidene]amino]cyclohexan-1-ol has a molecular weight of 479.63 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2E,3E)-2,3-di(ethylidene)-7-[(6-methyl-3-pyridinyl)amino]-4-phenylquinoxalin-6-ylidene]amino]cyclohexan-1-ol is sourced from PubChem (CID 87519550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).